SCHEMBL8963694

SCHEMBL8963694

Cc1ccc(-c2nc(N3CCN(C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)C(C)C3)c(C)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.37
GNRHR P30968 10/20 0.34
KIT P10721 1/20 0.33
TACR2 P21452 1/20 0.32
HRH2 P25021 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LIMK2 P53671 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
SCHEMBL8964228 0.90 TP53 (0.36) KIT
SCHEMBL8963673 0.71 GNRHR (0.46) GNRHROPRD1OPRK1
SCHEMBL8963977 0.69 NPY5R (0.35) TRPV1GNRHR
SCHEMBL8963691 0.67 TACR1 (0.34) GNRHROPRD1HDAC6
SCHEMBL8963753 0.67 ADRA2A (0.43)
Hydrochloric Acid SCHEMBL8963865 0.65 OPRD1 (0.38) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL8964047 0.64 OPRD1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL8963706 0.63 LIMK2 (0.39) OPRM1OPRD1OPRK1LIMK2
SCHEMBL8964029 0.63 DRD4 (0.44) HRH2
Hydrochloric Acid SCHEMBL8963554 0.61 MEN1 (0.44) OPRM1OPRD1OPRK1

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed