SCHEMBL4590922

SCHEMBL4590922

NC1CCCC(NCc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.57
PRMT6 Q96LA8 2/20 0.57
ALDH1A1 P00352 1/20 0.54
MCHR1 Q99705 1/20 0.50
CCNT1 O60563 1/20 0.49
RIPK2 O43353 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
EPHX1 P07099 1/20 0.45
SCN9A Q15858 3/20 0.43
PIM1 P11309 2/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL29456931 0.89 CARM1 (0.68) CARM1PRMT6ALDH1A1MCHR1CCNT1
SCHEMBL2466378 0.89 CARM1 (0.68) CARM1PRMT6ALDH1A1MCHR1CCNT1
SCHEMBL8214422 0.83 CARM1 (0.54) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL4590508 0.83 CARM1 (0.57) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL375222 0.80 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL1006996 0.80 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8216669 0.80 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1CCNT1
SCHEMBL4590689 0.79 MCHR1 (0.53) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8206265 0.79 MCHR1 (0.53) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8214788 0.79 MCHR1 (0.53) CARM1PRMT6ALDH1A1MCHR1RIPK2

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
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed