SCHEMBL7955962

SCHEMBL7955962

COc1ccc(F)cc1C1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2(C)CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CCR5 P51681 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM4 P08173 3/20 0.38
CACNA1G O43497 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
NTSR1 P30989 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL6178255 0.85 HTR1A (0.45) HTR1AKMT2AMEN1OPRD1OPRK1
SCHEMBL7958707 0.84 HTR1A (0.43) HTR1AKMT2AMEN1OPRD1OPRK1
SCHEMBL7759804 0.80 MEN1 (0.46) KMT2AMEN1MAPK1CHRM4CACNA1G
SCHEMBL6176757 0.77 KMT2A (0.48) KMT2AMEN1MAPK1CHRM4DRD2
SCHEMBL27509799 0.76 KMT2A (0.47) KMT2AMEN1MAPK1CHRM4CHRM1
SCHEMBL6177901 0.76 MEN1 (0.50) HTR1AKMT2AMEN1MAPK1CHRM4
SCHEMBL6176762 0.76 MEN1 (0.51) KMT2AMEN1MAPK1CHRM4DRD2
Cyclohexane SCHEMBL6180435 0.75 MEN1 (0.48) HTR1AKMT2AMEN1MAPK1CHRM4
SCHEMBL6177497 0.74 MEN1 (0.51) KMT2AMEN1MAPK1DRD2
Cyclohexane SCHEMBL6178387 0.73 MEN1 (0.48) HTR1AKMT2AMEN1MAPK1CHRM4

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-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US claimed