SCHEMBL7899281

SCHEMBL7899281

CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
TACR2 P21452 1/20 0.54
TACR1 P25103 1/20 0.54
STS P08842 1/20 0.53
GPR119 Q8TDV5 2/20 0.47
BRD4 O60885 2/20 0.47
PDE6D O43924 2/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP10 P09238 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL7958395 0.93 HRH1 (0.64) HRH1TACR2TACR1STSGAA
SCHEMBL13317058 0.91 KDM4E (0.54) HRH1TACR2TACR1STSGPR119
SCHEMBL7475435 0.87 HRH1 (0.51) HRH1TACR2TACR1STSGPR119
SCHEMBL7465460 0.86 HRH1 (0.51) HRH1TACR2TACR1STSGPR119
SCHEMBL7471630 0.85 HRH1 (0.44) HRH1TACR2TACR1STSGPR119
SCHEMBL9697550 0.84 HRH1 (0.43) HRH1TACR2TACR1STSGPR119
SCHEMBL9260913 0.84 HRH1 (0.51) HRH1STSNOD2NOD1
SCHEMBL7479016 0.82 NOD2 (0.45) HRH1TACR2TACR1STSGPR119
SCHEMBL7479020 0.82 NOD2 (0.43) HRH1TACR2TACR1STSGPR119
SCHEMBL7468735 0.82 HRH1 (0.41) HRH1TACR2TACR1STSGPR119

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-0843679-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed
US-6251894-B1 SUBSTANCE P ANTAGONISTS JANSSEN PHARMACEUTICALS N.V. (BE) 2001-06-26 US disclosed
EP-0843679-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-05-27 EP disclosed
WO-1997024356-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed