SCHEMBL11684200

SCHEMBL11684200

COc1ccc2c(c1)CCC1C=C(N3CCCC3)CC21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.46
CYP19A1 P11511 1/20 0.43
DRD1 P21728 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HSD17B1 P14061 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA7 P36544 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11683414 0.81 DRD1 (0.42) SRD5A1DRD1DRD2DRD4DRD5
SCHEMBL6565814 0.71 SRD5A1 (0.52) SRD5A1CYP19A1DRD2DRD3HSD17B1
SCHEMBL6247266 0.71 SRD5A1 (0.52) SRD5A1CYP19A1DRD2DRD3HSD17B1
SCHEMBL6247040 0.71 SRD5A1 (0.52) SRD5A1CYP19A1DRD2DRD3HSD17B1
SCHEMBL8169377 0.69 SRD5A1 (0.63) SRD5A1
SCHEMBL8169380 0.69 SRD5A1 (0.63) SRD5A1
SCHEMBL29795180 0.69 DRD1 (0.64) DRD1DRD2DRD4DRD5DRD3
SCHEMBL9748795 0.67 DRD1 (0.48) SRD5A1DRD1DRD2DRD4DRD5
SCHEMBL9748787 0.67 DRD1 (0.48) SRD5A1DRD1DRD2DRD4DRD5
SCHEMBL9748779 0.67 DRD1 (0.48) SRD5A1DRD1DRD2DRD4DRD5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064177-A 3-Alkoxy-D-homo-C-nor-13α, 14α-gona-1,3,5,(10),6,8-pentaen-17-one and derivatives thereof G. D. SEARLE & CO. (US) 1977-12-20 US disclosed