SCHEMBL6664427

SCHEMBL6664427

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCOC(CCN2CCN(C3CCCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.43
TACR2 P21452 4/20 0.43
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
Hydrochloric Acid SCHEMBL6952730 0.99 TACR1 (0.43) TACR1TACR2MCHR1HRH3
SCHEMBL6665988 0.91 TACR2 (0.43) TACR1TACR2HRH3
Hydrochloric Acid SCHEMBL6947443 0.90 TACR2 (0.43) TACR1TACR2HRH3
SCHEMBL6666443 0.89 TACR2 (0.42) TACR1TACR2HRH3
SCHEMBL6664259 0.89 TACR2 (0.42) TACR1TACR2HRH3
Hydrochloric Acid SCHEMBL6952736 0.89 TACR2 (0.42) TACR1TACR2HRH3
SCHEMBL8883314 0.86 TACR2 (0.53) TACR1TACR2
SCHEMBL8883306 0.86 TACR2 (0.53) TACR1TACR2
SCHEMBL8883802 0.86 TACR2 (0.53) TACR1TACR2
SCHEMBL9027909 0.85 CCR5 (0.51) TACR1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP claimed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US claimed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP claimed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO claimed
EP-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP disclosed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed