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SCHEMBL14044606

SCHEMBL14044606

CN1C[C@H]2CC[C@H](O[C@H](CO)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.78
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C8 P10632 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ TACR2 P21452 1/20 0.56
▸ TACR3 P29371 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KCNH2 Q12809 1/20 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
SCHEMBL3187660 0.88 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL12646179 0.88 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13378015 0.85 TACR1 (0.65) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13378026 0.85 TACR1 (0.65) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13377999 0.83 TACR1 (0.74) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13378008 0.83 TACR1 (0.74) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13378009 0.82 TACR1 (0.78) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13378022 0.82 TACR1 (0.78) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL12646129 0.81 TACR1 (0.76) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL10038441 0.80 TACR1 (0.55) TACR1CYP3A4CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124143-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-16 — — WO disclosed