SCHEMBL1431814

SCHEMBL1431814

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PPIB P23284 1/20 0.40
▸ MASP2 O00187 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AADAT Q8N5Z0 2/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ EHMT2 Q96KQ7 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
SCHEMBL1432532 1.00 MEN1 (0.48) MEN1KMT2AMC4RMC5RMC3R
SCHEMBL1433193 0.97 MEN1 (0.47) MEN1KMT2AMC4RMC5RMC3R
SCHEMBL1432347 0.97 MEN1 (0.47) MEN1KMT2AMC4RMC5RMC3R
SCHEMBL1432690 0.93 TLR2 (0.42) MEN1KMT2ANAMPTPPIBMASP2
SCHEMBL1432452 0.93 TLR2 (0.42) MEN1KMT2ANAMPTPPIBMASP2
SCHEMBL1432824 0.92 MASP2 (0.41) MEN1KMT2APPIBMASP2TACR1
SCHEMBL1432180 0.91 DPP4 (0.40) MEN1KMT2APPIBMASP2ALDH1A1
SCHEMBL1431638 0.91 DPP4 (0.40) MEN1KMT2APPIBMASP2ALDH1A1
SCHEMBL1432571 0.91 LCK (0.41) MEN1KMT2APPIBMASP2TACR1
SCHEMBL1432319 0.91 KMT2A (0.43) MEN1KMT2APPIBMASP2ALDH1A1

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
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