SCHEMBL7274968

SCHEMBL7274968

COC(=O)C[C@@H]1C[C@@H](C(N)C(=O)c2ccc3ccc(C#N)cc3c2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.35
NAMPT P43490 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
PIN1 Q13526 1/20 0.33

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
SCHEMBL7273020 0.98 DRD4 (0.35) DRD4NAMPTHTR1AHTR2AHRH1
SCHEMBL7284708 0.91 OPRM1 (0.35) DRD4HTR1AHTR2AHRH1OPRM1
SCHEMBL7274705 0.89 MCHR1 (0.37) DRD4HTR1AHTR2AHRH1OPRM1
SCHEMBL7278829 0.87 KAT6A (0.35) DRD4HTR1AHTR2AHRH1OPRM1
SCHEMBL7273363 0.87 MMP12 (0.37) HRH1
SCHEMBL7274972 0.83 NAMPT (0.40) DRD4NAMPTHTR1APIN1
SCHEMBL7281190 0.81 NAMPT (0.42) DRD4NAMPTOPRM1
SCHEMBL7273510 0.81 XIAP (0.32)
SCHEMBL7273026 0.80 NAMPT (0.40) DRD4NAMPTHTR1AOPRM1
SCHEMBL7275707 0.80 OPRM1 (0.35) OPRM1

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