SCHEMBL8135117

SCHEMBL8135117

FC(F)(F)c1nnnn1-c1ccc(OC2CC2)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.84

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
SCHEMBL7514299 1.00 TACR1 (0.84) TACR1
SCHEMBL7554409 1.00 TACR1 (0.84) TACR1
Hydrochloric Acid SCHEMBL7552964 0.99 TACR1 (0.84) TACR1
Hydrochloric Acid SCHEMBL7552970 0.99 TACR1 (0.84) TACR1
SCHEMBL8197202 0.98 TACR1 (0.83) TACR1
SCHEMBL6577603 0.98 TACR1 (0.83) TACR1
Hydrochloric Acid SCHEMBL6581407 0.97 TACR1 (0.83) TACR1
SCHEMBL7523974 0.93 TACR1 (0.73) TACR1
Hydrochloric Acid SCHEMBL7560810 0.92 TACR1 (0.73) TACR1
Hydrochloric Acid SCHEMBL7560807 0.92 TACR1 (0.73) 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-1028957-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-08-23 EP disclosed
WO-1999024423-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1999-05-20 WO disclosed