SCHEMBL4020544

SCHEMBL4020544

CC1N[C@@H](c2ccc(F)cc2)[C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.41
KCNH2 Q12809 4/20 0.38

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 SCHEMBL4021096 0.99 TACR1 (0.41) TACR1KCNH2
SCHEMBL4030298 0.82 TACR1 (0.45) TACR1KCNH2
Hydrochloric Acid SCHEMBL4024724 0.81 TACR1 (0.45) TACR1KCNH2
SCHEMBL4024782 0.73 TACR1 (0.51) TACR1
SCHEMBL4024435 0.72 TACR1 (0.44) TACR1
Hydrochloric Acid SCHEMBL4021487 0.72 MEN1 (0.51) TACR1
SCHEMBL4020694 0.68 TACR1 (0.60) TACR1
SCHEMBL12602263 0.66 TACR1 (0.47) TACR1
SCHEMBL12659637 0.66 TACR1 (0.47) TACR1
SCHEMBL4006579 0.66 TACR1 (0.46) 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