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SCHEMBL3272276

SCHEMBL3272276

CC(=O)CNC1CCN(CCC(C)(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1.CC(=O)N(C)C1CCN(CCC(C)(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 11/20 0.69
▸ TACR1 P25103 10/20 0.69
▸ TACR2 P21452 3/20 0.69
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KCNH2 Q12809 3/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL3272281 0.94 TACR3 (0.77) TACR3TACR1TACR2HRH3KCNH2
SCHEMBL296366 0.89 TACR3 (0.68) TACR3TACR1TACR2HRH3KCNH2
SCHEMBL3276349 0.86 TACR3 (0.80) TACR3TACR1TACR2KCNH2CCR5
SCHEMBL296171 0.82 TACR3 (1.00) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL299474 0.82 TACR3 (1.00) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL931920 0.82 TACR3 (1.00) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL296428 0.82 TACR3 (0.63) TACR3TACR1TACR2HRH3KCNH2
SCHEMBL296922 0.82 TACR3 (0.66) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL295707 0.81 TACR3 (0.89) TACR3TACR1TACR2KCNH2GPR119
SCHEMBL296834 0.81 TACR3 (0.83) TACR3TACR1TACR2HRH3KCNH2

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-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 — — EP claimed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 — — WO claimed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 — — EP disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 — — WO disclosed