SCHEMBL7653607

SCHEMBL7653607

C[C@H]1[C@H](NC(=O)c2sc(C#N)cc2Cl)C2CCN1CC2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.33
CHRNB2 P17787 10/20 0.33
CHRNA4 P43681 10/20 0.33
HTR3A P46098 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.31
GALK1 P51570 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7650658 0.84 F10 (0.39) CHRNA7CHRNB2CHRNA4HTR3AALDH1A1
SCHEMBL7656286 0.81 ALDH1A1 (0.36) CHRNA7CHRNB2CHRNA4HTR3ALMNA
SCHEMBL7059403 0.80 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7063203 0.78 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3ASMN1; SMN2
SCHEMBL7060958 0.78 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6007797 0.77 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7650292 0.77 CHRNA7 (0.36) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7062453 0.74 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL7652928 0.74 CHRNA7 (0.32) CHRNA7CHRNB2CHRNA4HTR3AHPGD
SCHEMBL7649556 0.74 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3AHTT

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