SCHEMBL13060708

SCHEMBL13060708

CCc1cccc(CN(CCN(C)C)Cc2cccc(O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
DRD2 P14416 5/20 0.49
DRD3 P35462 5/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
OPRK1 P41145 9/20 0.48
OPRM1 P35372 8/20 0.48
OPRD1 P41143 8/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 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
SCHEMBL13061102 0.86 CALM1 (0.64) CALM1CAMKK2DRD1OPRK1OPRM1
SCHEMBL13005720 0.84 OPRK1 (0.49) CALM1CAMKK2DRD2DRD3DRD1
SCHEMBL13061026 0.82 TAAR1 (0.57) CALM1CAMKK2
SCHEMBL13060692 0.82 TAAR1 (0.57) CALM1CAMKK2OPRM1MEN1KMT2A
SCHEMBL13061011 0.82 TAAR1 (0.57) CALM1CAMKK2MEN1KMT2A
SCHEMBL13061128 0.80 BCHE (0.47) CALM1CAMKK2OPRK1OPRM1OPRD1
SCHEMBL13061028 0.79 CYP1A2 (0.57) CALM1CAMKK2MEN1KMT2A
SCHEMBL13061027 0.79 CALM1 (0.47) CALM1CAMKK2DRD2DRD3MEN1
SCHEMBL13060710 0.79 CALM1 (0.77) CALM1CAMKK2MEN1KMT2AHSD17B2
SCHEMBL13061030 0.79 CALM1 (0.47) CALM1CAMKK2MEN1KMT2A

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
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed