SCHEMBL19852389

SCHEMBL19852389

CNCC1CCC(C)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
HTR2C P28335 2/20 0.38
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CARM1 Q86X55 5/20 0.34
PRMT6 Q96LA8 5/20 0.34
MTNR1A P48039 1/20 0.34
OPRM1 P35372 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL6864210 0.78 FFAR1 (0.41) FFAR1OPRM1MAPK1
SCHEMBL6864215 0.78 FFAR1 (0.41) FFAR1OPRM1MAPK1
SCHEMBL16208034 0.70 ACHE (0.48) FFAR1
SCHEMBL8116830 0.70 FFAR1 (0.47) FFAR1
SCHEMBL11724743 0.67 ALDH1A1 (0.48) FFAR1HTR2BMAPK1
SCHEMBL12425606 0.66 CARM1 (0.33) CARM1PRMT6
SCHEMBL15133572 0.66 CARM1 (0.33) CARM1PRMT6
SCHEMBL10154050 0.66 ADRA1D (0.51) CARM1PRMT6MAPK1
SCHEMBL9970754 0.63 MAPT (0.49) CARM1PRMT6MAPK1
SCHEMBL26241141 0.63 MAPK1 (0.38) FFAR1OPRM1MAPK1

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
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed