SCHEMBL3604583

SCHEMBL3604583

NCCCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
KDM4C Q9H3R0 3/20 0.40
KDM2B Q8NHM5 1/20 0.40
DPP4 P27487 5/20 0.40
BCL2L2 Q92843 1/20 0.40
DPP8 Q6V1X1 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL3092513 0.90 DPP4 (0.47) CNR1KDM4CKDM2BDPP4DPP8
SCHEMBL3586450 0.85 TAAR1 (0.42) CNR1KDM4CDPP4DPP8TAAR1
SCHEMBL3604409 0.83 DPP4 (0.45) CNR1KDM4CDPP4DPP8TAAR1
SCHEMBL3596995 0.82 SLC6A4 (0.41) DPP4DPP8
SCHEMBL3096850 0.82 DPP4 (0.44) DPP4DPP8CYP3A4
SCHEMBL3599723 0.79 CNR1 (0.42) CNR1KDM4CKDM2BDPP4DPP8
SCHEMBL3084580 0.78 DPP4 (0.49) CNR1DPP4DPP8CYP3A4
SCHEMBL3600855 0.78 DPP4 (0.45) KDM4CDPP4DPP8CYP3A4
SCHEMBL3596861 0.78 TAAR1 (0.47) CNR1DPP4DPP8TAAR1
SCHEMBL3604955 0.77 DPP4 (0.48) CNR1DPP4DPP8CYP3A4

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
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed