SCHEMBL11016555

SCHEMBL11016555

CCc1cccc(C)c1N1C(=O)c2cccc(C(=O)Cl)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.56
▸ ANPEP P15144 5/20 0.56
▸ TYMS P04818 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11020051 0.92 DPP4 (0.66) DPP4ANPEPTYMSCRHBPCRHR2
SCHEMBL11020797 0.90 DPP4 (0.61) DPP4ANPEPTYMSMEN1KMT2A
SCHEMBL11018358 0.84 DPP4 (0.55) DPP4ANPEPKMT2ACRHBPCRHR2
SCHEMBL11018217 0.84 DPP4 (0.54) DPP4ANPEPTYMSKMT2ACRHBP
SCHEMBL11018664 0.83 DPP4 (0.55) DPP4ANPEPTYMSCRHBPCRHR2
SCHEMBL11019967 0.82 DPP4 (0.53) DPP4ANPEPTYMSCRHBPCRHR2
SCHEMBL11022232 0.82 DPP4 (0.50) DPP4ANPEPTYMS
SCHEMBL11018418 0.82 DPP4 (0.51) DPP4ANPEPCRHBPCRHR2HSD17B10
SCHEMBL11019283 0.82 DPP4 (0.44) DPP4ANPEPTYMSALDH1A1MAPT
SCHEMBL11020131 0.81 DPP4 (0.57) DPP4ANPEPTYMS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153435-A1 Hair care compositions UNION CARBIDE CORPORATION (US) 1985-09-04 — — EP disclosed
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
US-4440743-A DIQUATERNARY AMMONIUM DERIVATIVES OF POLYETHYLENE GLYCOL FAUCHER JOSEPH A 1984-04-03 — — US disclosed
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