SCHEMBL24993142

SCHEMBL24993142

CC(C)CC1Cc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
PRCP P42785 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
OPRL1 P41146 2/20 0.33
CYP2D6 P10635 2/20 0.32
CXCR4 P61073 3/20 0.31
LNPEP Q9UIQ6 1/20 0.30
CHRNA7 P36544 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL1698227 0.83 CXCR4 (0.37) PIM1PIM2PRCPDRD2DRD3
SCHEMBL1698210 0.81 CXCR4 (0.42) CYP2D6CXCR4
SCHEMBL18959591 0.80 DRD3 (0.39) DRD2DRD3OPRL1CYP2D6
SCHEMBL21267253 0.80 PIM1 (0.37) CCNA2CDK2CCNA1PIM1PIM2
SCHEMBL19632445 0.75 DRD3 (0.41) CCNA2CDK2CCNA1OPRM1OPRK1
SCHEMBL14490422 0.71 OPRL1 (0.35) DRD2DRD3OPRL1CYP2D6CXCR4
SCHEMBL14348008 0.71 OPRL1 (0.35) DRD2DRD3OPRL1CYP2D6CXCR4
SCHEMBL14490661 0.71 OPRL1 (0.35) DRD2DRD3OPRL1CYP2D6CXCR4
SCHEMBL15107755 0.69 DRD2 (0.36) DRD2DRD3OPRL1CYP2D6
SCHEMBL19043665 0.69 OPRL1 (0.35) DRD2DRD3OPRL1CHRNA7DPP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116861-A1 ANTI-DLL3 ANTIBODY AND PHARMACEUTICAL USE THEREOF, AND ANTIBODY-DRUG CONJUGATE CONTAINING ANTI-DLL3 ANTIBODY 江苏恒瑞医药股份有限公司 2023-06-29 WO disclosed
WO-2023116862-A1 HYDROGENATED INDOLE COMPOUND, AND PREPARATION METHOD AND MEDICAL USE THEREFOR 江苏恒瑞医药股份有限公司 2023-06-29 WO disclosed
WO-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed
WO-2023072297-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-05-04 WO disclosed
WO-2023066357-A1 FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-04-27 WO disclosed
WO-2023011581-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-02-09 WO disclosed