SCHEMBL9448061

SCHEMBL9448061

CCC1CC2c3ccc(OC)cc3CCC2CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ CHRNA7 P36544 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL9448236 0.93 SRD5A1 (0.42) SRD5A1HTR2CLMNAHSD17B1MAPT
SCHEMBL9447900 0.85 HTR2C (0.50) SRD5A1HTR2CLMNAHSD17B1MAPT
SCHEMBL9447903 0.85 HTR2C (0.50) SRD5A1HTR2CLMNAHSD17B1MAPT
SCHEMBL9448205 0.79 SRD5A1 (0.45) SRD5A1HTR2CLMNAHSD17B1MAPT
Hydrochloric Acid SCHEMBL10835629 0.77 HTR2C (0.52) SRD5A1HTR2CLMNAHSD17B1MAPT
SCHEMBL9448288 0.76 HTR2C (0.58) SRD5A1HTR2CLMNAHSD17B1MAPT
SCHEMBL5683349 0.72 SRD5A1 (0.44) SRD5A1LMNAHSD17B1MAPTRECQL
SCHEMBL5683353 0.72 SRD5A1 (0.44) SRD5A1LMNAHSD17B1MAPTRECQL
SCHEMBL9448423 0.71 NPY5R (0.43) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12844306 0.71 PPARD (0.54) SRD5A1HTR2CCYP19A1

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-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 — — US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 — — US disclosed
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