SCHEMBL4031204

SCHEMBL4031204

CN(C)Cc1[nH]nnc1CN1CC(=O)N[C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.40
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40

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 SCHEMBL4023552 0.99 TACR1 (0.39) TACR1TACR2TACR3
SCHEMBL4031466 0.93 TACR1 (0.40) TACR1TACR2TACR3
Hydrochloric Acid SCHEMBL4027738 0.93 TACR1 (0.40) TACR1TACR2TACR3
SCHEMBL4024411 0.83 TACR1 (0.52) TACR1TACR2TACR3
SCHEMBL4023089 0.80 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL4021064 0.80 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL4026287 0.80 TACR1 (0.44) TACR1TACR2TACR3
SCHEMBL4026190 0.79 TACR1 (0.40) TACR1TACR2TACR3
Hydrochloric Acid SCHEMBL4024894 0.79 TACR1 (0.41) TACR1TACR2TACR3
SCHEMBL4030817 0.77 TACR1 (0.44) TACR1TACR2TACR3

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