SCHEMBL4010563

SCHEMBL4010563

CN(C=O)OC[C@@]1(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 2/20 0.40
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 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
SCHEMBL4005873 0.95 CYP1A2 (0.41) TAAR1CYP1A2LMNAMEN1KMT2A
SCHEMBL4011309 0.89 ROCK2 (0.33) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL4012585 0.84 CHRNA7 (0.34) CHRNA7
SCHEMBL397837 0.78 TAAR1 (0.52) TAAR1CYP1A2LMNAMEN1KMT2A
SCHEMBL402340 0.77 TAAR1 (0.47) TAAR1CYP1A2LMNAMEN1KMT2A
SCHEMBL4006505 0.73 CHRNA7 (0.36) MAPTNPC1RAB9APKMCHRNA7
SCHEMBL5072945 0.73 CHRNA7 (0.36) MAPTNPC1RAB9APKMCHRNA7
SCHEMBL403106 0.73 CYP1A2 (0.49) TAAR1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL400879 0.73 CYP1A2 (0.50) TAAR1CYP1A2MEN1KMT2AHTR1A
SCHEMBL1445958 0.72 CYP1A2 (0.50) TAAR1CYP1A2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed