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SCHEMBL6003154

SCHEMBL6003154

COC[C@H]1CN(CCN2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](Cc3ccc(Cl)c(O)c3)C2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 18/20 0.44
▸ DRD4 P21917 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
SCHEMBL5517076 1.00 TACR1 (0.44) TACR1DRD4
Hydrochloric Acid SCHEMBL5367958 0.99 TACR1 (0.44) TACR1DRD4
Hydrochloric Acid SCHEMBL5368891 0.99 TACR1 (0.44) TACR1DRD4
Hydrochloric Acid SCHEMBL5369215 0.96 TACR1 (0.41) TACR1DRD4
Hydrochloric Acid SCHEMBL5359495 0.95 TACR1 (0.41) TACR1DRD4
Hydrochloric Acid SCHEMBL5361239 0.95 TACR1 (0.41) TACR1DRD4
Hydrochloric Acid SCHEMBL5369907 0.94 TACR1 (0.41) TACR1DRD4
Hydrochloric Acid SCHEMBL5361235 0.93 TACR1 (0.40) TACR1DRD4
SCHEMBL5362244 0.92 TACR1 (0.45) TACR1
SCHEMBL5148629 0.92 TACR1 (0.45) TACR1

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
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 — — EP disclosed