SCHEMBL6003111

SCHEMBL6003111

COc1cc(C(=O)N2CCN(CCN3CC(C)OC(C)C3)C[C@H]2Cc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.42

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
SCHEMBL6003107 1.00 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL5363006 0.99 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL5363010 0.99 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL5365434 0.94 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL5365440 0.94 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL5359812 0.94 RHOC (0.41) TACR1
Hydrochloric Acid SCHEMBL5359807 0.94 RHOC (0.41) TACR1
Hydrochloric Acid SCHEMBL5363231 0.91 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL5363234 0.91 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL5372536 0.91 TACR1 (0.42) 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