SCHEMBL763166

SCHEMBL763166

O=c1[nH]c2ccccc2n1CCO

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
HPGD P15428 3/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.64
POLB P06746 1/20 0.59
HTR7 P34969 5/20 0.55
RAB9A P51151 1/20 0.55
DAO P14920 1/20 0.55
IDO1 P14902 1/20 0.51
P2RX7 Q99572 2/20 0.51

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
SCHEMBL11632907 0.90 LMNA (0.69) LMNAHPGDHTTALDH1A1MAPT
Water SCHEMBL11506538 0.88 LMNA (0.68) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL30947438 0.85 LMNA (0.78) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL24335550 0.83 GRIA1 (0.57) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL29580203 0.83 GRIA1 (0.57) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL891366 0.82 LMNA (0.64) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL6494898 0.82 LMNA (0.64) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL961132 0.82 LMNA (0.64) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL21729878 0.82 LMNA (0.64) LMNAHPGDHTTALDH1A1MAPT
SCHEMBL2149052 0.82 LMNA (0.64) LMNAHPGDHTTALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-6140331-A FOR TREATING ANXIETY DISORDERS, DEPRESSION, PSYCHOSIS, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, ISCHAEMIC DISEASES, CARDIOVASCULAR DISORDERS, SIDE EFFECTS INDUCED BY CONVENTIONAL ANTIPSYCHOTIC AGENTS AND SENILE DEMENTIA H. LUNDBECK A/S (DK) 2000-10-31 US disclosed
EP-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP disclosed
US-5753661-A TREATMENT OF NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 1998-05-19 US disclosed
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed
US-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed