SCHEMBL7468848

SCHEMBL7468848

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.79

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 SCHEMBL7554024 0.99 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL7463712 0.98 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL8021130 0.97 TACR1 (0.77) TACR1
Hydrochloric Acid SCHEMBL7463273 0.97 TACR1 (0.77) TACR1
Hydrochloric Acid SCHEMBL7466951 0.97 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL7471883 0.91 TACR1 (0.66) TACR1
SCHEMBL7466259 0.91 TACR1 (0.68) TACR1
SCHEMBL7456852 0.91 TACR1 (0.75) TACR1
Hydrochloric Acid SCHEMBL7469919 0.90 TACR1 (0.68) TACR1
SCHEMBL7553568 0.90 TACR1 (0.70) 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-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed