SCHEMBL8876518

SCHEMBL8876518

Cc1c(-c2ccccc2)oc2c(CNC(=O)C(F)(F)F)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
GLA P06280 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1A P35348 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8875205 0.83 ALDH1A1 (0.49) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8876807 0.82 MAPT (0.50) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8875855 0.81 LMNA (0.48) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8875656 0.81 LMNA (0.46) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL5118184 0.80 LMNA (0.54) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8875368 0.79 GLA (0.63) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8875991 0.79 LMNA (0.47) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL14266220 0.78 LMNA (0.55) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL8874632 0.76 LMNA (0.50) MAPTALDH1A1LMNAGLAMEN1
SCHEMBL5116298 0.76 LMNA (0.50) MAPTALDH1A1LMNAGLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 US disclosed
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed