SCHEMBL7611706

SCHEMBL7611706

CCC(=O)N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.68
RHOC P08134 2/20 0.55
RHOA P61586 2/20 0.55
TACR3 P29371 1/20 0.54
CCR2 P41597 3/20 0.47

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
SCHEMBL7611711 1.00 TACR1 (0.68) TACR1RHOCRHOATACR3CCR2
SCHEMBL7618575 0.93 TACR1 (0.66) TACR1RHOCRHOATACR3CCR2
SCHEMBL7615335 0.93 TACR1 (0.66) TACR1RHOCRHOATACR3CCR2
SCHEMBL7612746 0.91 TACR1 (0.64) TACR1RHOCRHOATACR3CCR2
SCHEMBL7612741 0.91 TACR1 (0.64) TACR1RHOCRHOATACR3CCR2
SCHEMBL7616504 0.91 TACR1 (0.69) TACR1RHOCRHOATACR3CCR2
SCHEMBL7616496 0.91 TACR1 (0.69) TACR1RHOCRHOATACR3CCR2
SCHEMBL7611998 0.91 TACR1 (0.82) TACR1RHOCRHOATACR3
SCHEMBL7612006 0.91 TACR1 (0.82) TACR1RHOCRHOATACR3
SCHEMBL7614357 0.90 TACR1 (0.71) TACR1RHOCRHOATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP claimed
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US claimed
EP-0783490-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS Novartis AG (CH) 1997-07-16 EP claimed
WO-1996010562-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 1996-04-11 WO claimed
EP-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP disclosed