SCHEMBL8660784

SCHEMBL8660784

c1ccc(COc2ccc3[nH]cc(Cc4cccnc4)c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
LTA4H P09960 5/20 0.61
PLA2G2A P14555 5/20 0.61
HTR1D P28221 6/20 0.58
POLB P06746 1/20 0.58
KIF20A O95235 1/20 0.57
SLC6A4 P31645 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
HTR1A P08908 3/20 0.53
HTR1B P28222 3/20 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
SCHEMBL11266559 0.88 TRPM8 (0.65) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL24183187 0.88 TRPM8 (0.74) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL29007183 0.86 TRPM8 (0.76) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL29617411 0.86 TRPM8 (0.76) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL8658847 0.84 GPR84 (0.66) TRPM8MAPTHTR1DHTR1AHTR1B
Hydrochloric Acid SCHEMBL8658852 0.83 GPR84 (0.64) TRPM8MAPTHTR1DHTR1AHTR1B
SCHEMBL24183118 0.82 TRPM8 (0.63) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL15955987 0.80 TRPM8 (0.70) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL28100769 0.79 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL2007192 0.79 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A

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-5834493-A TREATMENT OF NERVOUS SYSTEM DISORDERS GIL QUINTERO MYRNA (IT) 1998-11-10 US disclosed
EP-0694033-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1996-01-31 EP disclosed
WO-1994024125-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-10-27 WO disclosed