SCHEMBL31345692

SCHEMBL31345692

Nc1cccc(C2CCCNC2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
DRD3 P35462 1/20 0.62
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR2A P28223 1/20 0.43
CHEK1 O14757 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 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
SCHEMBL14272052 1.00 DRD2 (0.62) DRD2DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL4343580 0.91 DRD2 (0.51) DRD2DRD3
SCHEMBL19973352 0.91 DRD2 (0.51) DRD2DRD3
Tert-Butyl Formate SCHEMBL28803052 0.84 DRD2 (0.47) DRD2DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL4198563 0.83 CHRNB2 (0.53) DRD2DRD3SLC6A2SLC6A3CHRNB2
SCHEMBL16334825 0.81 HDAC4 (0.52) DRD2DRD3DDB1CRBN
SCHEMBL18956824 0.81 HDAC4 (0.47) DRD2DRD3DDB1CRBN
SCHEMBL29922352 0.80 HTR2C (0.62) DDB1CRBN
SCHEMBL2264849 0.80 HTR2C (0.62) DDB1CRBN
Hydrochloric Acid SCHEMBL4444055 0.80 HDAC4 (0.50) DRD2DRD3DDB1CRBN

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
CN-119569641-A Synthesis method of nilaparib intermediate 4- (piperidin-3-yl) aniline 山东铂源药业股份有限公司 2025-03-07 CN disclosed