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SCHEMBL13433760

SCHEMBL13433760

CNC(=O)N1C[C@H]2[C@H](c3ccc(F)cc3)[C@@H](O[C@H](C)c3cc(C)cc(C(F)(F)F)c3)CC[C@@H]2C1O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.68
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TACR2 P21452 1/20 0.53
▸ TACR3 P29371 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL3477229 0.97 TACR1 (0.72) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL12646245 0.81 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3172027 0.81 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14347175 0.81 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5520592 0.79 TACR1 (0.65) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3477669 0.78 TACR1 (0.72) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13531598 0.76 TACR1 (0.89) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14204662 0.76 TACR1 (0.89) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL16353223 0.75 TACR1 (0.91) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13531608 0.75 TACR1 (0.91) 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
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 — — US disclosed