SCHEMBL9236299

SCHEMBL9236299

O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)Nn1cccc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71

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
Hydrochloric Acid SCHEMBL8836522 0.99 TACR1 (0.70) TACR1
SCHEMBL9240877 0.90 TACR1 (0.73) TACR1
Hydrochloric Acid SCHEMBL7825649 0.90 TACR1 (0.74) TACR1
Hydrochloric Acid SCHEMBL8836208 0.90 TACR1 (0.74) TACR1
Hydrochloric Acid SCHEMBL8836656 0.90 TACR1 (0.72) TACR1
SCHEMBL7554993 0.88 TACR1 (0.77) TACR1
SCHEMBL8475585 0.88 TACR1 (0.72) TACR1
Hydrochloric Acid SCHEMBL6135682 0.88 TACR1 (0.68) TACR1
SCHEMBL7823213 0.88 TACR1 (0.72) TACR1
SCHEMBL7826987 0.88 TACR1 (0.72) 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-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed