SCHEMBL11368796

SCHEMBL11368796

CC1(C)CC(O)(c2ccccc2)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
OPRL1 P41146 7/20 0.44
OPRM1 P35372 6/20 0.44
OPRK1 P41145 5/20 0.44
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
OPRD1 P41143 3/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH2 P25021 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL15147253 0.80 CHRNA1 (0.45) GRIN2BOPRL1OPRM1OPRK1CHRNB2
SCHEMBL34468465 0.79 OPRL1 (0.50) GRIN2BOPRL1OPRM1OPRK1OPRD1
SCHEMBL11467643 0.78 OPRL1 (0.47) GRIN2BOPRL1OPRM1OPRK1OPRD1
SCHEMBL21523784 0.75 CYP2D6 (0.41) GRIN2BOPRL1OPRM1OPRK1OPRD1
SCHEMBL10506035 0.75 OPRM1 (0.48) GRIN2BOPRL1OPRM1OPRK1CHRNB2
SCHEMBL11360698 0.75 MAOA (0.39) MEN1KMT2AMAOA
SCHEMBL4555715 0.73 GRIN2B (0.45) GRIN2BOPRL1OPRM1OPRK1SLC6A2
SCHEMBL1668502 0.73 OPRM1 (0.48) OPRL1OPRM1OPRK1CHRNB2SLC6A2
SCHEMBL27557278 0.73 OPRL1 (0.45) GRIN2BOPRL1OPRM1OPRK1CHRNB2
Hydrochloric Acid SCHEMBL4555247 0.72 SMN1; SMN2 (0.45) GRIN2BOPRL1OPRM1OPRK1SLC6A2

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-4286014-A CHAIN EXTENDER COMPRISING HYDRAZINE OR DERIVATIVE TORAY INDUSTRIES, INCORPORATED (JP) 1981-08-25 US disclosed