SCHEMBL8992966

SCHEMBL8992966

COc1cccc(Cc2ccc(CCl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TAAR1 Q96RJ0 3/20 0.51
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR1B P28222 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CMA1 P23946 1/20 0.47

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
SCHEMBL8365761 0.87 LMNA (0.56) LTA4HCHRM2CHRM1CHRM3TAAR1
SCHEMBL14191204 0.87 LTA4H (0.70) LTA4HCHRM2CHRM1CHRM3MTNR1A
SCHEMBL228859 0.87 TAAR1 (0.60) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL29484318 0.87 TAAR1 (0.60) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL2099512 0.87 CHRM2 (0.66) LTA4HCHRM2CHRM1CHRM3TAAR1
SCHEMBL227515 0.85 TAAR1 (0.58) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL2092574 0.85 LTA4H (0.67) LTA4HCHRM2CHRM1CHRM3MTNR1A
SCHEMBL31739258 0.85 LTA4H (0.67) LTA4HCHRM2CHRM1CHRM3MTNR1A
SCHEMBL13880096 0.84 MAOB (0.62) LTA4HCHRM2CHRM1CHRM3MTNR1A
SCHEMBL8093299 0.84 MTNR1A (0.57) LTA4HCHRM2CHRM1CHRM3MTNR1A

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