SCHEMBL8992951

SCHEMBL8992951

COc1cccc(Cc2ccc(-c3c[nH]nc3N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
DHFR P00374 1/20 0.48
LTB4R Q15722 1/20 0.44
HTR1B P28222 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR4 P22455 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
BRS3 P32247 1/20 0.42
MAOB P27338 2/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL8993074 0.84 DHFR (0.49) LTA4HDHFRHTR1BTAAR1IDO1
SCHEMBL8992949 0.84 DHFR (0.49) LTA4HDHFRHTR1BTAAR1IDO1
SCHEMBL8992834 0.84 LTA4H (0.53) LTA4HTAAR1IDO1BRS3
SCHEMBL8993116 0.81 LTA4H (0.45) LTA4HLTB4RFGFR1
SCHEMBL4700185 0.80 TDO2 (0.55) ADORA1
SCHEMBL8136072 0.77 TAAR1 (0.61) LTA4HDHFRTAAR1IDO1AGXT
SCHEMBL27289916 0.76 LTA4H (0.60) LTA4HHTR1BTAAR1IDO1AGXT
SCHEMBL29415515 0.75 LTA4H (0.49) LTA4HDHFRLTB4RHTR1BTAAR1
SCHEMBL28717354 0.75 LTA4H (0.49) LTA4HDHFRLTB4RHTR1BTAAR1
SCHEMBL14191204 0.75 LTA4H (0.70) LTA4HHTR1BTAAR1IDO1AGXT

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed