SCHEMBL13691862

SCHEMBL13691862

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCN)NCC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.43
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NOS2 P35228 2/20 0.39
▸ EGFR P00533 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTRA1 Q92743 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL13189115 0.86 MC4R (0.44) UTS2RLMNAGAAHTTNOS2
SCHEMBL13190967 0.86 MAPT (0.47) UTS2RLMNAGAAHTTNOS2
SCHEMBL13691865 0.73 MC4R (0.43) UTS2RLMNAGAAHTT
SCHEMBL13689399 0.73 LMNA (0.43) LMNAHTTEGFRMMP1MMP2
SCHEMBL13689519 0.73 LMNA (0.48) UTS2RLMNAHTTEGFRL3MBTL1
SCHEMBL13691792 0.72 DRD2 (0.52) MAPTNLRP3MEN1KMT2ACYP1A2
SCHEMBL13190970 0.71 DRD2 (0.51) MAPTNLRP3SMN1; SMN2
SCHEMBL13691853 0.70 MAPT (0.44) UTS2RLMNAGAAHTTNOS2
SCHEMBL13190971 0.70 MC4R (0.48) UTS2RMAPTNLRP3MEN1KMT2A
SCHEMBL13689400 0.69 HDAC3 (0.44) UTS2RLMNAHTTMEN1KMT2A

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
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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