SCHEMBL17204151

SCHEMBL17204151

N#CN=C(NC1CC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.54
CNR1 P21554 6/20 0.50
OPRL1 P41146 1/20 0.49
CNR2 P34972 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MARS1 P56192 6/20 0.48
SMPD1 P17405 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL17203554 0.95 OPRL1 (0.54) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17204181 0.91 MEN1 (0.51) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203516 0.91 CNR1 (0.47) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17206139 0.89 MEN1 (0.47) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203501 0.89 MEN1 (0.47) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203723 0.87 CNR1 (0.53) CNR1OPRL1CNR2MARS1FAAH
SCHEMBL17203717 0.86 RPA1 (0.56) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203647 0.85 RPA1 (0.58) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203709 0.83 RPA1 (0.55) RPA1CNR1OPRL1CNR2MEN1
SCHEMBL17203334 0.83 MEN1 (0.41) RPA1CNR1CNR2MEN1LMNA

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
WO-2015162452-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CB1 RECEPTOR ANTAGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-29 WO claimed
WO-2015162452-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CB1 RECEPTOR ANTAGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-29 WO disclosed