SCHEMBL7688875

SCHEMBL7688875

O=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(F)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.49
RHOC P08134 4/20 0.44
RHOA P61586 4/20 0.44
TACR3 P29371 1/20 0.41
OPRK1 P41145 1/20 0.37
USP2 O75604 4/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7684256 0.89 TACR1 (0.55) TACR1RHOCRHOATACR3OPRK1
SCHEMBL12809194 0.87 OPRK1 (0.52) TACR1RHOCRHOATACR3OPRK1
SCHEMBL730772 0.86 TACR1 (0.66) TACR1RHOCRHOATACR3USP2
SCHEMBL4987212 0.86 TACR1 (0.49) TACR1RHOCRHOATACR3OPRK1
SCHEMBL4987525 0.85 TACR1 (0.48) TACR1RHOCRHOATACR3USP2
SCHEMBL7864817 0.84 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL5369403 0.80 L3MBTL1 (0.49) TACR1RHOCRHOA
SCHEMBL15358923 0.78 NR1H2 (0.40) OPRK1
SCHEMBL5372143 0.77 TACR1 (0.55) TACR1USP2CYP2D6CYP3A4
SCHEMBL4983555 0.75 TACR1 (0.62) TACR1RHOCRHOATACR3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346540-B1 SUBSTANCE P ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL AND BRAIN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-12 US disclosed
EP-0843679-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed
EP-0855999-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-04 EP disclosed
US-6251894-B1 SUBSTANCE P ANTAGONISTS JANSSEN PHARMACEUTICALS N.V. (BE) 2001-06-26 US disclosed
US-6169097-B1 1-(1,2-Disubstituted piperidinyl)-4-substituted piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-02 US disclosed
EP-0855999-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-05 EP 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-1997024324-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed
WO-1997024356-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed