SCHEMBL9235672

SCHEMBL9235672

Cc1ccc(C[C@H]2CN(C(=O)C=Cc3cccnc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.44
TACR1 P25103 9/20 0.40
MAPK1 P28482 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL9234523 1.00 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
SCHEMBL8836563 1.00 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
SCHEMBL9235668 1.00 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
SCHEMBL9234532 1.00 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
Hydrochloric Acid SCHEMBL8477164 0.99 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
Hydrochloric Acid SCHEMBL9239046 0.99 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
Hydrochloric Acid SCHEMBL9239058 0.99 NAMPT (0.44) NAMPTTACR1MAPK1FNTAFNTB
SCHEMBL8836941 0.91 TACR1 (0.47) TACR1
SCHEMBL9234549 0.91 TACR1 (0.47) TACR1
SCHEMBL9234555 0.91 TACR1 (0.47) 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-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed