SCHEMBL6005638

SCHEMBL6005638

COc1cc(C[C@@H]2CN(CCN3C[C@@H](C)O[C@@H](C)C3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.45

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
SCHEMBL6005643 1.00 TACR1 (0.45) TACR1
Hydrochloric Acid SCHEMBL5364652 0.99 TACR1 (0.44) TACR1
Hydrochloric Acid SCHEMBL5364646 0.99 TACR1 (0.44) TACR1
Hydrochloric Acid SCHEMBL5370568 0.95 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL5370561 0.95 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL5366380 0.95 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL5366385 0.93 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL5366374 0.93 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL5365379 0.92 TACR1 (0.43) TACR1
Hydrochloric Acid SCHEMBL5365373 0.92 TACR1 (0.43) 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