SCHEMBL4027509

SCHEMBL4027509

O=C1CN(C(=O)CN2CCCC2)[C@@H](c2ccccc2)[C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.50

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 SCHEMBL4021376 0.99 TACR1 (0.49) TACR1
SCHEMBL4022572 0.85 TACR1 (0.49) TACR1
SCHEMBL4023330 0.84 TACR1 (0.50) TACR1
SCHEMBL4029698 0.81 TACR1 (0.57) TACR1
Hydrochloric Acid SCHEMBL4029674 0.80 TACR1 (0.56) TACR1
SCHEMBL4024411 0.78 TACR1 (0.52) TACR1
SCHEMBL4024114 0.78 TACR1 (0.46) TACR1
SCHEMBL4022195 0.78 TACR1 (0.43) TACR1
SCHEMBL4022843 0.77 TACR1 (0.43) TACR1
SCHEMBL4022845 0.77 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