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SCHEMBL13253307

SCHEMBL13253307

CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(OCF)cc1)c1cc(F)cc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 20/20 1.00
▸ CNR2 P34972 6/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ CYP3A4 P08684 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
SCHEMBL3476102 1.00 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3475261 0.94 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13253303 0.94 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13253300 0.94 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3477119 0.94 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13253306 0.94 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3370536 0.94 CNR1 (0.89) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13274158 0.93 CNR1 (0.88) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3474459 0.93 CNR1 (0.86) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3371821 0.92 CNR1 (0.85) CNR1CNR2CYP2D6CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 — — US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 — — US disclosed