SCHEMBL17826599

SCHEMBL17826599

O=C(Cc1ccccc1CF)N1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.80
▸ LMNA P02545 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CCR3 P51677 1/20 0.37
▸ CNR1 P21554 2/20 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
SCHEMBL14686430 0.89 PRCP (0.76) PRCPLMNATSHRCCR3
SCHEMBL14686464 0.89 PRCP (0.76) PRCPLMNAALOX15TSHRMAPK1
SCHEMBL14686541 0.89 PRCP (1.00) PRCPLMNAALOX15TSHRMAPK1
SCHEMBL14701329 0.81 PRCP (0.86) PRCPGRM5CNR1
SCHEMBL14749338 0.81 PRCP (0.65) PRCP
SCHEMBL14749335 0.80 PRCP (0.64) PRCP
SCHEMBL12184064 0.80 PRCP (0.83) PRCPCNR1
SCHEMBL12183983 0.80 PRCP (0.64) PRCPMAPK1NAMPT
SCHEMBL12186038 0.79 PRCP (0.63) PRCPLMNAALOX15TSHRMAPK1
SCHEMBL12185602 0.77 PRCP (0.70) PRCPTSHRGRM5

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
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
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