SCHEMBL4030817

SCHEMBL4030817

N#CCN1CC(=O)NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.44
TACR2 P21452 1/20 0.41
TACR3 P29371 1/20 0.41
SLC6A4 P31645 1/20 0.39

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 SCHEMBL4023505 0.99 TACR1 (0.43) TACR1TACR2TACR3SLC6A4
SCHEMBL4024411 0.88 TACR1 (0.52) TACR1TACR2TACR3SLC6A4
SCHEMBL4022195 0.87 TACR1 (0.43) TACR1TACR2TACR3SLC6A4
SCHEMBL4029698 0.84 TACR1 (0.57) TACR1
Hydrochloric Acid SCHEMBL4029674 0.84 TACR1 (0.56) TACR1
SCHEMBL4023089 0.81 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL4021064 0.81 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL4024114 0.81 TACR1 (0.46) TACR1TACR2TACR3SLC6A4
SCHEMBL4022843 0.81 TACR1 (0.43) TACR1
SCHEMBL4022845 0.81 TACR1 (0.43) 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-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 EP claimed