SCHEMBL28026560

SCHEMBL28026560

CCC(=O)N1CCCC(C(=O)N2CCC(c3ccccc3)(N(C)C)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
OPRM1 P35372 5/20 0.49
OPRL1 P41146 5/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27835998 0.89 KDM4E (0.48) KMT2AOPRM1OPRL1KDM4EALDH1A1
SCHEMBL23718993 0.84 CCR5 (0.54) KMT2AMEN1OPRM1OPRL1ALDH1A1
SCHEMBL27835999 0.83 OPRL1 (0.49) KMT2AOPRM1OPRL1KDM4EALDH1A1
SCHEMBL4276385 0.82 OPRM1 (0.62) OPRM1OPRL1LMNA
SCHEMBL3404124 0.80 KMT2A (0.56) KMT2AMEN1OPRM1OPRL1KDM4E
SCHEMBL3434218 0.80 ALDH1A1 (0.52) KMT2AMEN1OPRM1OPRL1KDM4E
SCHEMBL3403507 0.79 GABRA1 (0.44) OPRM1OPRL1KDM4EALDH1A1HPGD
SCHEMBL4109110 0.78 GABRA1 (0.53) OPRM1OPRL1HSD11B1
SCHEMBL3408116 0.78 GABRA1 (0.43) OPRM1OPRL1ALDH1A1HPGDHSD11B1
SCHEMBL3410714 0.77 UTS2R (0.48) KMT2AMEN1OPRM1OPRL1KDM4E

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-102015683-B The indole derivatives replaced GRUNENTHAL GMBH (DE) 2015-08-05 CN claimed
CN-102015683-B The indole derivatives replaced GRUNENTHAL GMBH (DE) 2015-08-05 CN disclosed