SCHEMBL10467201

SCHEMBL10467201

COc1ccc2c(c1)CCCC2CN(C)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
KDM4C Q9H3R0 3/20 0.48
HTR6 P50406 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46

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
SCHEMBL10469706 0.84 MTNR1A (0.58)
SCHEMBL4622573 0.83 PPARD (0.53) SIGMAR1KDM4CHTR6
SCHEMBL9521546 0.81 HTR6 (0.44) SIGMAR1KDM4CHTR6
SCHEMBL10467431 0.81 ALDH1A1 (0.64) HTR6
SCHEMBL10467993 0.81 ALDH1A1 (0.46)
SCHEMBL10467840 0.80 SIGMAR1 (0.50) SIGMAR1KDM4CHTR6
SCHEMBL4621036 0.79 KDM4C (0.52) SIGMAR1KDM4CHTR6
SCHEMBL4621230 0.79 SIGMAR1 (0.53) SIGMAR1KDM4C
SCHEMBL4622233 0.77 SIGMAR1 (0.56) SIGMAR1
SCHEMBL1430487 0.77 PPARD (0.69) KDM4C

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-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed