SCHEMBL7274972

SCHEMBL7274972

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
DRD4 P21917 3/20 0.39
HTR1A P08908 2/20 0.36
RAB9A P51151 2/20 0.36
CCR3 P51677 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CCKBR P32239 1/20 0.35
PIN1 Q13526 1/20 0.34
BCHE P06276 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
SCHEMBL7273026 0.98 NAMPT (0.40) NAMPTDRD4HTR1ARAB9ACCR3
SCHEMBL7281190 0.93 NAMPT (0.42) NAMPTDRD4RAB9ACCR3SLC6A2
SCHEMBL7284718 0.91 HTR1A (0.42) NAMPTDRD4HTR1ADRD2DRD3
SCHEMBL7272741 0.90 NAMPT (0.42) NAMPTDRD4RAB9ACCR3SLC6A2
SCHEMBL7274708 0.89 CHRM4 (0.42) NAMPTDRD4HTR1ARAB9ACCR3
SCHEMBL7273369 0.87 MAOA (0.38) NAMPTHTR1ARAB9ADRD2DRD3
SCHEMBL7278834 0.87 HTR1A (0.39) NAMPTHTR1ARAB9A
Hydrochloric Acid SCHEMBL7275718 0.87 DRD4 (0.39) DRD4HTR1ARAB9ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7275125 0.85 DRD4 (0.40) DRD4HTR1ARAB9ASLC6A2SLC6A4
SCHEMBL7274964 0.83 CCR3 (0.44) NAMPTDRD4HTR1ACCR3

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