SCHEMBL7275656

SCHEMBL7275656

N=C(N)N[C@H]1CC[C@@H](c2ccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
KDM1A O60341 1/20 0.36
DRD4 P21917 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL7275667 1.00 DGAT1 (0.36) DGAT1KDM1ADRD4GAAHTT
SCHEMBL7284021 1.00 DGAT1 (0.36) DGAT1KDM1ADRD4GAAHTT
SCHEMBL7282719 0.94 KDM1A (0.38) KDM1ADRD4SRCLMNAHPGD
SCHEMBL7282695 0.89 KDM1A (0.41) DGAT1KDM1ASRCLMNAHPGD
SCHEMBL8881618 0.89 KDM1A (0.41) DGAT1KDM1ASRCLMNAHPGD
SCHEMBL7275921 0.89 KDM1A (0.41) DGAT1KDM1ASRCLMNAHPGD
SCHEMBL7277853 0.88 ITGB3 (0.38) DGAT1KDM1ALMNAHPGDOPRM1
SCHEMBL7285004 0.87 KDM1A (0.40) KDM1ADRD4SRCLMNAHPGD
SCHEMBL7277147 0.86 ASAH1 (0.42) DGAT1KDM1ASRCLMNAHPGD
SCHEMBL7280929 0.85 KDM1A (0.42) KDM1ASRCLMNAHPGDALDH1A1

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