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Sugi Predict / Compounds / SCHEMBL4815566

SCHEMBL4815566

SCHEMBL4815566

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](N2CCN(C3CN(c4cnccn4)C3)CC2)C[C@H]1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.57
▸ TACR3 P29371 2/20 0.46

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
SCHEMBL4815572 1.00 TACR1 (0.57) TACR1TACR3
SCHEMBL5218706 1.00 TACR1 (0.57) TACR1TACR3
SCHEMBL3091770 0.96 TACR1 (0.56) TACR1TACR3
SCHEMBL12809412 0.96 TACR1 (0.56) TACR1TACR3
SCHEMBL13756723 0.94 TACR1 (0.54) TACR1TACR3
SCHEMBL4814958 0.88 TACR1 (0.56) TACR1TACR3
SCHEMBL5217896 0.88 TACR1 (0.56) TACR1TACR3
SCHEMBL4814953 0.88 TACR1 (0.56) TACR1TACR3
SCHEMBL12809396 0.85 TACR1 (0.61) TACR1TACR3
SCHEMBL4822711 0.85 TACR1 (0.58) TACR1TACR3

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-7435736-B2 Substituted 1-piperidin-4-yl-4-azetidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-14 — — US claimed