SCHEMBL7329230

SCHEMBL7329230

COC(=O)CN1CCC(C2CCNCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.44
GNAO1 P09471 6/20 0.44
GNAI1 P63096 6/20 0.44
SIGMAR1 Q99720 3/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13180493 0.84 GNAI3 (0.45) GNAI3GNAO1GNAI1SIGMAR1SMN1; SMN2
SCHEMBL12773927 0.83 SMN1; SMN2 (0.45) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL31619612 0.83 GNAI3 (0.41) GNAI3GNAO1GNAI1SIGMAR1CDK9
SCHEMBL2922056 0.82 CHRM5 (0.55) SIGMAR1CHRM5CHRM3SMN1; SMN2
SCHEMBL31465603 0.81 CACNA2D1 (0.44) SIGMAR1CHRM5CHRM3SMN1; SMN2
Hydrochloric Acid SCHEMBL4219766 0.80 CHRM5 (0.53) GNAI3GNAO1GNAI1SIGMAR1CHRM5
Hydrochloric Acid SCHEMBL8483418 0.80 CHRM5 (0.53) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL7933593 0.80 CHRM5 (0.53) SIGMAR1CHRM5CHRM3SMN1; SMN2
SCHEMBL6887723 0.80 CHRM5 (0.53) SIGMAR1CHRM5CHRM3SMN1; SMN2
SCHEMBL31216071 0.80 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed