SCHEMBL9688920

SCHEMBL9688920

COc1ccc(Cn2c3c(c4c(N)c(C(=O)O)c(-c5ccccc5)nc42)CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.52
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HTR6 P50406 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL9690796 0.87 FABP4 (0.50) FABP4ALDH1A1KDM4EGLAGAA
SCHEMBL9690486 0.86 FABP4 (0.47) FABP4ALDH1A1KDM4EGLAGAA
SCHEMBL9689722 0.81 FABP4 (0.47) FABP4ALDH1A1KDM4EHTR6GABRP
SCHEMBL9689810 0.75 FABP4 (0.43) FABP4ALDH1A1KDM4EGLAGAA
SCHEMBL9382989 0.74 HTR6 (0.44) FABP4ALDH1A1KDM4EHTR6CYP3A4
SCHEMBL9382045 0.73 ALDH1A1 (0.46) FABP4ALDH1A1KDM4EGAAHPGD
SCHEMBL9383301 0.71 CYP11B2 (0.46) FABP4ALDH1A1KDM4EGLAGAA
SCHEMBL9690457 0.71 GABRP (0.59) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6684990 0.68 FABP4 (1.00) FABP4FABP3
SCHEMBL17406863 0.68 FABP4 (0.47) FABP4ALDH1A1KDM4EHTR6MAPT

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
EP-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP claimed
EP-0249301-A1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1987-12-16 EP claimed
EP-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP disclosed
US-4952584-A TREATMENT OF PROPHYLAXIS OF ANXIETY OR DEPRESSION BEECHAM GROUP P.L.C. (GB) 1990-08-28 US disclosed
EP-0249301-A1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1987-12-16 EP disclosed