SCHEMBL7283087

SCHEMBL7283087

COC(=O)C[C@@H]1C[C@@H](CNC(=O)c2ccc(C3CCC(N)CC3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
LMNA P02545 3/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
HPGD P15428 2/20 0.38
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MAOA P21397 1/20 0.36
SRC P12931 1/20 0.36
MTNR1A P48039 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL7284971 1.00 KDM1A (0.39) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7283082 1.00 KDM1A (0.39) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7281644 0.92 CHRM4 (0.37) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7284740 0.92 CHRM4 (0.37) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7281650 0.92 CHRM4 (0.37) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL8881618 0.92 KDM1A (0.41) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7275921 0.92 KDM1A (0.41) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7282695 0.92 KDM1A (0.41) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7280929 0.85 KDM1A (0.42) KDM1ALMNAOPRM1OPRD1HPGD
SCHEMBL7274716 0.84 KMT2A (0.39) KDM1ALMNAOPRM1OPRD1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed