SCHEMBL13060683

SCHEMBL13060683

CCc1cccc(CN(CCN(C)C)CC2CC=CCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
HSD17B10 Q99714 1/20 0.57
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
OPRM1 P35372 7/20 0.33
OPRK1 P41145 7/20 0.33
OPRD1 P41143 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL13005558 0.87 KDM4E (0.54) KDM4EHSD17B10CALM1CAMKK2MEN1
SCHEMBL172762 0.83 OPRM1 (0.47) CALM1CAMKK2OPRM1OPRK1OPRD1
SCHEMBL13061102 0.76 CALM1 (0.64) KDM4ECALM1CAMKK2MEN1KMT2A
SCHEMBL13060702 0.71 CALM1 (0.38) KDM4ECALM1CAMKK2MEN1KMT2A
SCHEMBL13061009 0.71 OPRM1 (0.46) CALM1CAMKK2OPRM1OPRK1OPRD1
SCHEMBL13061128 0.71 BCHE (0.47) CALM1CAMKK2MEN1KMT2AOPRM1
SCHEMBL13005691 0.71 OPRM1 (0.43) CALM1CAMKK2OPRM1OPRK1OPRD1
SCHEMBL13061028 0.70 CYP1A2 (0.57) CALM1CAMKK2MEN1KMT2ABCHE
SCHEMBL13005432 0.70 OPRM1 (0.44) CALM1CAMKK2OPRM1OPRK1OPRD1
SCHEMBL13061011 0.70 TAAR1 (0.57) KDM4ECALM1CAMKK2MEN1KMT2A

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