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SCHEMBL3247986

SCHEMBL3247986

CC(=O)N1CCN([C@H]2CCN(OC(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.77
▸ CYP3A4 P08684 3/20 0.61
▸ SIGMAR1 Q99720 1/20 0.61
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54

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
SCHEMBL3244347 1.00 TACR1 (0.77) TACR1CYP3A4SIGMAR1CYP2D6CYP2C9
SCHEMBL3245145 0.92 TACR1 (0.66) TACR1CYP3A4SIGMAR1
SCHEMBL3235696 0.86 TACR1 (0.78) TACR1CYP3A4SIGMAR1
SCHEMBL3239538 0.86 TACR1 (0.78) TACR1CYP3A4SIGMAR1
SCHEMBL4710643 0.86 TACR1 (0.64) TACR1CYP3A4SIGMAR1
SCHEMBL28384967 0.81 TACR1 (0.87) TACR1CYP3A4SIGMAR1
SCHEMBL1526339 0.81 TACR1 (0.87) TACR1CYP3A4SIGMAR1
SCHEMBL2487455 0.81 TACR1 (0.88) TACR1CYP3A4SIGMAR1
SCHEMBL2487457 0.81 TACR1 (0.88) TACR1CYP3A4SIGMAR1
SCHEMBL3148080 0.81 TACR1 (0.88) TACR1CYP3A4SIGMAR1

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-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 — — EP claimed
EP-1524266-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2007-02-28 — — EP claimed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 — — EP claimed