SCHEMBL1432743

SCHEMBL1432743

CCN1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MASP2 O00187 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ CTSB P07858 2/20 0.39
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGA2 P17301 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PPIB P23284 1/20 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
SCHEMBL1432977 0.91 F2 (0.49) F2CTSBITGB1ITGA4
SCHEMBL1432803 0.90 CTSB (0.41) ALDH1A1MAPTCRHBPCRHR2MASP2
SCHEMBL1432630 0.89 DPP4 (0.39) ALDH1A1MAPTMASP2F2MEN1
SCHEMBL1431769 0.89 DPP4 (0.39) ALDH1A1MAPTMASP2F2MEN1
SCHEMBL1432980 0.87 MEN1 (0.47) ALDH1A1MASP2F2ITGB1ITGA4
SCHEMBL1431973 0.87 MEN1 (0.47) ALDH1A1MASP2F2ITGB1ITGA4
SCHEMBL1432174 0.82 DPP4 (0.38) ALDH1A1MASP2F2MEN1KMT2A
SCHEMBL1432074 0.82 DPP4 (0.38) ALDH1A1MASP2F2MEN1KMT2A
SCHEMBL1432037 0.82 TACR1 (0.47) MASP2F2ITGB1ITGA4
SCHEMBL1432083 0.82 TACR1 (0.47) MASP2F2ITGB1ITGA4

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
Send feedback