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SCHEMBL7870308

SCHEMBL7870308

COc1cc(OC)c(CC(F)(F)F)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.49
▸ CYP2D6 P10635 4/20 0.46
▸ HCRTR2 O43614 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL7138191 1.00 TACR1 (0.49) TACR1CYP2D6HCRTR2KCNH2
SCHEMBL7864432 0.90 TACR1 (0.58) TACR1CYP2D6KCNH2
SCHEMBL6604763 0.86 TACR1 (0.65) TACR1HCRTR2
SCHEMBL7032818 0.86 TACR1 (0.65) TACR1HCRTR2
SCHEMBL8708427 0.85 TACR1 (0.51) TACR1CYP2D6KCNH2
SCHEMBL7133654 0.85 TACR1 (0.60) TACR1CYP2D6KCNH2
SCHEMBL7135463 0.85 TACR1 (0.51) TACR1CYP2D6KCNH2
SCHEMBL7137909 0.85 TACR1 (0.51) TACR1CYP2D6KCNH2
SCHEMBL7867202 0.85 TACR1 (0.60) TACR1CYP2D6KCNH2
SCHEMBL7133070 0.85 CYP2D6 (0.59) TACR1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861235-B1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER (US) 2001-11-07 — — EP disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 — — EP disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 — — WO disclosed