SCHEMBL11041557

SCHEMBL11041557

c1ccc2ccc3nncc3c2nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GMNN O75496 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
THPO P40225 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3820324 0.80 LMNA (0.43) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL1900105 0.80 LMNA (0.67) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL18839312 0.79 LMNA (0.38) LMNAKDM4EHSP90AA1HTTCCNA2
SCHEMBL6995995 0.76 LMNA (0.78) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL600668 0.73 CCR1 (0.60) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL27885494 0.73 LMNA (0.96) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL7368978 0.73 LMNA (0.61) LMNAKDM4EMAPTSMN1; SMN2CCR1
Anthracene SCHEMBL28175852 0.73 LMNA (0.85) LMNAKDM4EMAPTSMN1; SMN2CCR1
Benzonaphthyridine SCHEMBL29137083 0.72 CCR1 (0.64) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL10923588 0.72 LMNA (0.78) LMNAKDM4EMAPTSMN1; SMN2CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045521-B1 PYRAZOLOBENZAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-27 EP claimed
EP-0045521-A1 Pyrazolobenzazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP claimed
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
US-4460781-A PREPARATION OF PYRAZOLOBENZAZEPINES HOFFMANN-LA ROCHE INC. (US) 1984-07-17 US disclosed
US-4460781-A PREPARATION OF PYRAZOLOBENZAZEPINES HOFFMANN-LA ROCHE INC. (US) 1984-07-17 US disclosed
EP-0045521-B1 PYRAZOLOBENZAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-27 EP disclosed
EP-0045521-B1 PYRAZOLOBENZAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-27 EP disclosed
US-4379765-A SEDATIVES, ANXIETY HOFFMANN-LA ROCHE INC. (US) 1983-04-12 US disclosed
US-4379765-A SEDATIVES, ANXIETY HOFFMANN-LA ROCHE INC. (US) 1983-04-12 US disclosed
US-4379765-A SEDATIVES, ANXIETY HOFFMANN-LA ROCHE INC. (US) 1983-04-12 US disclosed
EP-0045521-A1 Pyrazolobenzazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP disclosed
EP-0045521-A1 Pyrazolobenzazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP disclosed
EP-0045521-A1 Pyrazolobenzazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP disclosed
US-4028381-A ANTIANXIETY AND ANTIDEPRESSANT AGENTS CIBA-GEIGY CORPORATION (US) 1977-06-07 US disclosed
US-4022801-A ANTIANXIETY AND ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed
US-3947585-A ANTIANXIETY, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1976-03-30 US disclosed