SCHEMBL7273419

SCHEMBL7273419

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2C(F)(F)F)N(CCCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
SSTR4 P31391 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ABCB1 P08183 1/20 0.35
HPGD P15428 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
EP300 Q09472 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
CTSS P25774 2/20 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
SCHEMBL7281974 0.93 MRGPRX4 (0.40) MRGPRX4SSTR4RXRARXRBRXRG
SCHEMBL7274966 0.90 HRH3 (0.40) ARABCB1HPGDABCG2HTR1A
SCHEMBL7282659 0.89 ABCB1 (0.36) ARABCB1HPGDABCG2HTR1A
SCHEMBL7280940 0.89 ABCB1 (0.36) ARABCB1HPGDABCG2HTR1A
SCHEMBL7274992 0.88 ABCB1 (0.35) ARABCB1HPGDABCG2HTR1A
Hydrochloric Acid SCHEMBL7275036 0.88 PDE4A (0.37) ARRXRARXRBRXRGFFAR4
SCHEMBL7273947 0.87 EP300 (0.37) ARABCB1HPGDABCG2HTR1A
SCHEMBL7283703 0.87 ABCB1 (0.35) ARABCB1HPGDABCG2HTR1A
SCHEMBL7282551 0.87 ABCB1 (0.44) ABCB1HPGDABCG2HTR1ADRD4
SCHEMBL7281268 0.87 ABCB1 (0.44) ABCB1HPGDABCG2HTR1ADRD4

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