SCHEMBL4031466

SCHEMBL4031466

CN(C)Cc1[nH]nnc1CN1CC(=O)N[C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.40
TACR3 P29371 2/20 0.35
NR3C1 P04150 1/20 0.35
CYP3A4 P08684 1/20 0.35
FPR1 P21462 1/20 0.35
GPR183 P32249 1/20 0.35
OPRD1 P41143 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TACR2 P21452 1/20 0.33

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 SCHEMBL4027738 0.99 TACR1 (0.40) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL4031204 0.93 TACR1 (0.40) TACR1TACR3TACR2
Hydrochloric Acid SCHEMBL4023552 0.93 TACR1 (0.39) TACR1TACR3TACR2
SCHEMBL4026190 0.86 TACR1 (0.40) TACR1TACR3NR3C1CYP3A4FPR1
Hydrochloric Acid SCHEMBL4024894 0.85 TACR1 (0.41) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL4020549 0.80 TACR1 (0.62) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL4024411 0.75 TACR1 (0.52) TACR1TACR3TACR2
SCHEMBL4022546 0.75 TACR1 (0.53) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL4023089 0.73 TACR1 (0.61) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL4021064 0.73 TACR1 (0.61) TACR1TACR3NR3C1CYP3A4FPR1

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