SCHEMBL13616775

SCHEMBL13616775

CCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)c(SC)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.46
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL3842606 0.91 CRHR1 (0.53) CRHR1CNR1
SCHEMBL6646777 0.91 CRHR1 (0.53) CRHR1CNR1
SCHEMBL3841607 0.91 CRHR1 (0.53) CRHR1CNR1
SCHEMBL3841056 0.91 CRHR1 (0.53) CRHR1CNR1
SCHEMBL3839450 0.91 CRHR1 (0.53) CRHR1CNR1
SCHEMBL6642069 0.89 CRHR1 (0.53) CRHR1CNR1CNR2
SCHEMBL3838545 0.89 CRHR1 (0.53) CRHR1CNR1CNR2
SCHEMBL3844593 0.87 CRHR1 (0.52) CRHR1
SCHEMBL6643498 0.87 CRHR1 (0.47) CRHR1CNR1CNR2
SCHEMBL3838899 0.87 CRHR1 (0.47) CRHR1CNR1CNR2

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
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed