SCHEMBL21362329

SCHEMBL21362329

CCCN1CCCC(NOCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.53
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
DRD1 P21728 2/20 0.53
DRD5 P21918 2/20 0.53
KDM2B Q8NHM5 1/20 0.49
SIGMAR1 Q99720 3/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
NFKB1 P19838 1/20 0.44
PRCP P42785 1/20 0.44
EBP Q15125 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
SCHEMBL28225477 0.90 CYP3A4 (0.43) DRD3DRD2DRD4DRD1DRD5
SCHEMBL28848092 0.85 CYP1A2 (0.55)
SCHEMBL24067279 0.79 ALDH1A1 (0.39) SIGMAR1CARM1PRMT6
SCHEMBL21903015 0.79 KMT2A (0.36) SIGMAR1CARM1PRMT6
SCHEMBL31294280 0.76 ALDH1A1 (0.46)
SCHEMBL28524004 0.75 ALDH1A1 (0.43)
SCHEMBL3411535 0.75 KMT2A (0.47)
SCHEMBL28740025 0.75 DPP7 (0.42)
SCHEMBL1251145 0.75 DPP7 (0.42)
SCHEMBL4480785 0.74 EPHX2 (0.49)

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
EP-2857401-B1 NOVEL -LACTAMASE INHIBITOR AND METHOD FOR PRODUCING SAME MEIJI SEIKA PHARMA CO LTD (JP) 2019-09-18 EP disclosed