SCHEMBL7207414

SCHEMBL7207414

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CC(C(c2ccccc2)c2ccccc2)N2CC(OC)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.47

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
SCHEMBL7207419 1.00 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL6541203 0.99 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL6540383 0.99 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL6541002 0.99 TACR1 (0.48) TACR1
SCHEMBL6903172 0.92 TACR1 (0.47) TACR1
SCHEMBL6541071 0.92 TACR1 (0.45) TACR1
SCHEMBL7059381 0.92 TACR1 (0.45) TACR1
SCHEMBL6541576 0.92 TACR1 (0.45) TACR1
Hydrochloric Acid SCHEMBL6904207 0.92 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL6904212 0.92 TACR1 (0.48) 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