SCHEMBL31437068

SCHEMBL31437068

O=C1CCN(C2CCN(Cc3ccccc3)CC2)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.61
CHRM2 P08172 12/20 0.61
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
OPRL1 P41146 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL10950977 0.88 CHRM2 (0.61) CHRM3CHRM2DDB1CRBNDRD2
Hydrochloric Acid SCHEMBL10944931 0.87 CHRM2 (0.60) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL2317295 0.85 CHRM4 (0.57) CHRM3CHRM2CYP3A4CYP2D6CYP2C9
SCHEMBL3063295 0.81 CHRM3 (0.59) CHRM3CHRM2CYP3A4CYP2D6CYP2C9
SCHEMBL3655076 0.81 CHRM3 (0.51) CHRM3CHRM2CYP3A4CYP2D6CYP2C9
SCHEMBL22144449 0.79 CHRM3 (0.57) CHRM3CHRM2DDB1CRBNCYP3A4
SCHEMBL10955807 0.79 OPRM1 (0.50) CHRM3CHRM2CYP3A4CYP2D6CYP2C9
SCHEMBL11217794 0.79 OPRL1 (0.57) CHRM3CHRM2CYP3A4CYP2D6CYP2C9
SCHEMBL7747502 0.79 CHRM3 (0.53) CHRM3CHRM2DDB1CRBNCYP3A4
SCHEMBL9046543 0.79 CHRM4 (0.70) CHRM3CHRM2OPRL1OPRM1OPRK1

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
CN-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed