SCHEMBL23601161

SCHEMBL23601161

COC(=O)N1CCN(c2ccc(-c3cccc(C)c3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
WNT3A P56704 1/20 0.50
SMO Q99835 2/20 0.49
HPGD P15428 2/20 0.46
DGAT1 O75907 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDR P35968 1/20 0.45
ETV6 P41212 1/20 0.45
MGLL Q99685 2/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CNR2 P34972 1/20 0.44
EED O75530 1/20 0.44

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
SCHEMBL23601156 0.88 RET (0.56) DPP4WNT3A
SCHEMBL23601155 0.87 DPP4 (0.63) DPP4WNT3ASMOHPGDKDR
SCHEMBL24721148 0.85 PSEN1 (0.48) WNT3ASMODGAT1KDRETV6
SCHEMBL23601169 0.84 CKS1B (0.54) DPP4WNT3ASMOHPGDSMN1; SMN2
SCHEMBL23601160 0.84 GRM5 (0.50) DPP4WNT3ASMOHPGDSMN1; SMN2
SCHEMBL23600946 0.81 HRH3 (0.58) SMOHPGDSMN1; SMN2CYP3A4HSD17B10
SCHEMBL15344195 0.80 FYN (0.53) CNR2
SCHEMBL23601153 0.80 CNR2 (0.58) SMN1; SMN2KDM4ECNR2
SCHEMBL12303103 0.77 WNT3A (0.84) WNT3A
SCHEMBL23601163 0.77 CNR2 (0.46) DPP4DGAT1CNR2

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed