SCHEMBL18924339

SCHEMBL18924339

CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK14 Q16539 1/20 0.45
FASN P49327 1/20 0.44
MCHR1 Q99705 1/20 0.44
DRD1 P21728 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18924563 0.83 MCHR1 (0.59) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL18924525 0.80 KCNH2 (0.57) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL18924383 0.79 ALDH1A1 (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16324241 0.78 FASN (0.75) FASN
SCHEMBL16365083 0.78 FASN (0.75) FASN
SCHEMBL18924387 0.78 MCHR1 (0.56) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL18924526 0.78 MCHR1 (0.62) MCHR1
SCHEMBL9001766 0.78 ALDH1A1 (0.66) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9001761 0.77 USP30 (0.59) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL11406234 0.77 KMT2A (0.64) MEN1KMT2ALMNAMAPTALDH1A1

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-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 US disclosed