SCHEMBL7206460

SCHEMBL7206460

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CC2CN(C(=O)C(C)C)CCN2C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.51

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
SCHEMBL7206455 1.00 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6540816 0.99 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL6904914 0.95 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6905203 0.95 TACR1 (0.51) TACR1
SCHEMBL6540737 0.94 TACR1 (0.56) TACR1
SCHEMBL6540743 0.94 TACR1 (0.56) TACR1
Hydrochloric Acid SCHEMBL6540749 0.94 TACR1 (0.57) TACR1
Hydrochloric Acid SCHEMBL6541571 0.94 TACR1 (0.57) TACR1
SCHEMBL6541529 0.94 TACR1 (0.57) TACR1
Hydrochloric Acid SCHEMBL6540756 0.94 TACR1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed