SCHEMBL7652916

SCHEMBL7652916

C[C@H]1[C@H](NC(=O)c2ccc(SCCl)s2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.43
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR3E A5X5Y0 5/20 0.35
HTR3B O95264 5/20 0.35
HTR3A P46098 5/20 0.35
HTR3D Q70Z44 5/20 0.35
HTR3C Q8WXA8 5/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 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
SCHEMBL6829677 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL6805064 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7063496 0.83 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7059206 0.82 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7060995 0.82 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AKMT2A
SCHEMBL7064022 0.81 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7064115 0.81 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7060781 0.81 KMT2A (0.47) CHRNA7CHRNB2CHRNA4RAB9AHPGD
SCHEMBL7063201 0.81 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7062090 0.80 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4HTR3A

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 claimed