SCHEMBL7650658

SCHEMBL7650658

Cc1cc(Cl)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
CHRNA7 P36544 15/20 0.37
CHRNB2 P17787 9/20 0.37
CHRNA4 P43681 9/20 0.37
HTR3A P46098 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7656286 0.85 ALDH1A1 (0.36) CHRNA7CHRNB2CHRNA4HTR3AALDH1A1
SCHEMBL7653607 0.84 CHRNA7 (0.33) CHRNA7CHRNB2CHRNA4HTR3AALDH1A1
SCHEMBL7650292 0.81 CHRNA7 (0.36) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7062453 0.81 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7064031 0.78 DAO (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7652928 0.78 CHRNA7 (0.32) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7063277 0.77 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7225655 0.76 CHRNB2 (0.58) F10CHRNA7CHRNB2CHRNA4NPC1
SCHEMBL7063975 0.75 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7219903 0.75 HSD11B1 (0.55) NPC1RAB9AHSD11B1

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-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed