SCHEMBL6135723

SCHEMBL6135723

Cn1c(=O)[nH]c2c(Cl)cc(CC(N)C(=O)C3CCCCN3C3CCNCC3)cc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.30

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
SCHEMBL4585197 0.76 CALCRL (0.41)
SCHEMBL6135719 0.73 OPRK1 (0.30) OPRK1
SCHEMBL4593853 0.69 ROCK2 (0.43)
SCHEMBL4585974 0.66 CALCRL (0.44)
SCHEMBL4587306 0.65 CYP3A4 (0.41)
SCHEMBL3561990 0.61 GABRP (0.41)
SCHEMBL29722741 0.61 GABRP (0.41)
SCHEMBL5391193 0.60 KDM4E (0.34)
SCHEMBL28771094 0.60 CNR2 (0.33)
Hydrochloric Acid SCHEMBL29061151 0.59 CNR2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed