SCHEMBL7275535

SCHEMBL7275535

C=CC[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.43
MAOA P21397 2/20 0.41
NAMPT P43490 3/20 0.40
CHRM4 P08173 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
EPHX2 P34913 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 2/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
KDM1A O60341 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL7280264 0.91 DRD2 (0.43) MAOANAMPTDRD2HTR1ADRD4
SCHEMBL7280648 0.89 HTR1A (0.41) DRD2OPRM1HTR1ADRD4HTR2A
SCHEMBL7274964 0.89 CCR3 (0.44) CCR3MAOANAMPTCHRM4SIGMAR1
SCHEMBL7274141 0.85 ALDH1A1 (0.40) NAMPTHDAC1ALDH1A1LMNA
SCHEMBL7276118 0.85 ALDH1A1 (0.40) NAMPTHDAC1ALDH1A1LMNA
SCHEMBL7284443 0.83 DRD2 (0.38) NAMPTSIGMAR1DRD2OPRM1HDAC6
SCHEMBL7274708 0.83 CHRM4 (0.42) CCR3MAOANAMPTCHRM4SIGMAR1
SCHEMBL7304783 0.82 SIGMAR1 (0.39) CHRM4SIGMAR1DRD2OPRM1HDAC6
SCHEMBL7273654 0.82 SIGMAR1 (0.44) NAMPTCHRM4SIGMAR1DRD2OPRM1
SCHEMBL7274156 0.80 ABCB1 (0.42) OPRM1HTR1ADRD4HTR2AHRH1

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