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SCHEMBL4565194

SCHEMBL4565194

CCCCCCCCCCCCCCCCN1CCC(C(=O)N2CC[C@@H](OCc3cc(NCC(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccccc3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 13/20 0.47
▸ UBE2M P61081 5/20 0.43
▸ DCUN1D1 Q96GG9 5/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CCR2 P41597 2/20 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
SCHEMBL4565195 1.00 TACR1 (0.47) TACR1UBE2MDCUN1D1CYP3A4CYP2D6
SCHEMBL5943394 0.88 TACR1 (0.59) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5943397 0.88 TACR1 (0.59) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL6380364 0.88 TACR1 (0.59) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474037 0.81 TACR1 (0.58) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474027 0.81 TACR1 (0.58) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474033 0.81 TACR1 (0.58) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483142 0.80 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483139 0.80 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483149 0.80 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9

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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 — — US disclosed