SCHEMBL8995566

SCHEMBL8995566

N#Cc1ccc(CCCCNC(=O)[C@@H](CC(=O)OCc2ccccc2)n2cccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL8995542 0.86 NAMPT (0.45) NAMPTKMT2AHPGDALDH1A1CYP2D6
SCHEMBL8995539 0.86 NAMPT (0.45) NAMPTKMT2AHPGDALDH1A1CYP2D6
SCHEMBL8995562 0.74 CTSS (0.52)
SCHEMBL8995548 0.74 CTSS (0.52)
SCHEMBL7423272 0.74 CTSS (0.52)
SCHEMBL7423600 0.74 CTSS (0.55) KMT2AHPGDALDH1A1MEN1
SCHEMBL7423594 0.74 CTSS (0.55) KMT2AHPGDALDH1A1MEN1
SCHEMBL8995569 0.74 CTSS (0.55) KMT2AHPGDALDH1A1MEN1
SCHEMBL7419202 0.72 NPSR1 (0.59) L3MBTL1KMT2AHPGDALDH1A1CYP2C9
SCHEMBL7419206 0.72 NPSR1 (0.59) L3MBTL1KMT2AHPGDALDH1A1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed