SCHEMBL3140936

SCHEMBL3140936

O=C(CCc1ccc(F)cc1)N1CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.57
POLB P06746 1/20 0.55
CACNA1F O60840 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
HRH2 P25021 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
ADRA1B P35368 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR6 P50406 1/20 0.53
CACNA1D Q01668 1/20 0.53

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
SCHEMBL23241211 0.85 POLB (0.55) POLBNPC1TDP1KMT2ANAAA
SCHEMBL17621560 0.85 POLB (0.55) POLBNPC1TDP1KMT2ANAAA
SCHEMBL4704100 0.84 POLB (0.75) GFERPOLBME2ME1ME3
SCHEMBL13900106 0.83 NPC1 (0.68) GFERPOLBCACNA1FHTR1AADORA3
SCHEMBL13271672 0.81 GFER (0.52) GFERCACNA1FHTR1AADORA3DRD4
SCHEMBL653041 0.80 GFER (0.58) GFERPOLBCACNA1FHTR1AADORA3
SCHEMBL13271682 0.80 SMN1; SMN2 (0.67) GFERCACNA1FHTR1AADORA3DRD4
SCHEMBL8219856 0.79 GFER (0.57) GFERCACNA1FHTR1AADORA3DRD4
SCHEMBL17117274 0.78 KMT2A (0.69) POLBTDP1TAAR1KMT2A
SCHEMBL1704864 0.78 MLNR (0.68) GFERPOLBCACNA1FHTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US claimed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US disclosed