SCHEMBL8979719

SCHEMBL8979719

NC(=O)c1cccc(-c2ccc3[nH]cc(C[C@H]4CCCN4C(=O)OCc4ccccc4)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
HTR1B P28222 6/20 0.42
HTR1D P28221 5/20 0.42
ICMT O60725 1/20 0.42
HTR2A P28223 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
HTR7 P34969 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL8979718 0.94 ICMT (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8979686 0.90 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8979702 0.90 DAGLA (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8979845 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8875340 0.84 UTS2R (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8542318 0.84 UTS2R (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30073 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8790234 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30072 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8789702 0.82 HTR1A (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed