SCHEMBL7273369

SCHEMBL7273369

COC(=O)C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3cccc(C#N)c3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
NAMPT P43490 1/20 0.38
MCHR1 Q99705 3/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
CHRM4 P08173 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1A P08908 2/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
BRD4 O60885 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
SCHEMBL7274708 0.93 CHRM4 (0.42) MAOANAMPTMCHR1CHRM4RAB9A
SCHEMBL7281022 0.93 CHRM4 (0.42) MAOANAMPTMCHR1DRD2DRD3
SCHEMBL7278834 0.93 HTR1A (0.39) NAMPTCHRM4RAB9AHTR1A
SCHEMBL7284718 0.92 HTR1A (0.42) MAOANAMPTMCHR1DRD2DRD3
SCHEMBL7275596 0.89 DRD2 (0.41) DRD2DRD3HTR1A
SCHEMBL7273026 0.88 NAMPT (0.40) NAMPTMCHR1DRD2DRD3RAB9A
SCHEMBL8879756 0.88 HTR1A (0.38) NAMPTCHRM4RAB9AHTR1A
SCHEMBL7274972 0.87 NAMPT (0.40) NAMPTDRD2DRD3RAB9AHTR1A
Hydrochloric Acid SCHEMBL7275887 0.86 F10 (0.49) HTR1A
SCHEMBL7284968 0.86 ALDH1A1 (0.43) RAB9AMAPT

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