SCHEMBL11600359

SCHEMBL11600359

CC(=O)CCN1CCC(=C2c3ccccc3CCc3sc(C)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PTAFR P25105 2/20 0.49
▸ DRD3 P35462 6/20 0.46
▸ HRH1 P35367 5/20 0.46
▸ CHRM2 P08172 5/20 0.46
▸ CHRM1 P11229 5/20 0.46
▸ KCNH2 Q12809 5/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ HTR2A P28223 4/20 0.46
▸ HTR2C P28335 4/20 0.46
▸ ADRA2A P08913 4/20 0.46
▸ DRD1 P21728 4/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ADRA2B P18089 3/20 0.46
▸ HTR3A P46098 3/20 0.46
▸ OPRK1 P41145 3/20 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
SCHEMBL11600894 0.87 PTAFR (0.63) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11601745 0.84 MAPK1 (0.69) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11600303 0.83 PTAFR (0.46) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11601694 0.80 PTAFR (0.52) PTAFRHRH1KCNH2SETD7FNTA
SCHEMBL11600653 0.80 PTAFR (0.52) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11599673 0.80 PTAFR (0.60) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL3787169 0.79 CYP2D6 (0.47) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11602084 0.78 DRD3 (0.65) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11602883 0.78 PTAFR (0.50) MAPK1MEN1MAPTKMT2APTAFR
SCHEMBL11601639 0.78 PTAFR (0.50) MAPK1MEN1MAPTKMT2APTAFR

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-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 — — US disclosed
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