SCHEMBL3578400

SCHEMBL3578400

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cccnc2N2CCC[C@@H]2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
PDE5A O76074 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
CDK1 P06493 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
TACR1 P25103 2/20 0.35
TACR3 P29371 2/20 0.35
OPRK1 P41145 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL3578401 1.00 CNR2 (0.39) CNR2SIGMAR1PDE5ATRPV1CDK1
SCHEMBL3581464 0.86 TRPV1 (0.41) CNR2TRPV1OPRM1OPRD1HCRTR1
SCHEMBL3580336 0.86 MAPT (0.42) SIGMAR1TRPV1OPRM1OPRD1HCRTR1
SCHEMBL3573203 0.79 RAF1 (0.40) OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3583661 0.79 BTK (0.41) TRPV1OPRM1OPRD1
SCHEMBL3582883 0.79 RAF1 (0.40) OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3580658 0.77 RAF1 (0.39) SIGMAR1OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3575452 0.77 KMT2A (0.42) SIGMAR1OPRM1OPRD1
SCHEMBL3581747 0.76 CCR9 (0.39) OPRM1OPRD1
SCHEMBL3574429 0.73 KDM4C (0.39) SIGMAR1TRPV1OPRM1OPRD1

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed