SCHEMBL8024422

SCHEMBL8024422

CCC(N)N.OCc1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL14414158 0.80 CYP4F2 (0.44) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL29366632 0.79 APOBEC3G (0.60) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL41139 0.79 APOBEC3G (0.60) CYP4F2CYP4A11APOBEC3GPDCD1CD274
Methylamine SCHEMBL27926648 0.78 CYP4F2 (0.48) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL27894267 0.77 SLC6A2 (0.50) HTR2ATAAR1CYP2D6SLC6A2SLC6A4
SCHEMBL477605 0.77 CYP4F2 (0.41) CYP4F2CYP4A11APOBEC3GPDCD1CD274
SCHEMBL282419 0.77 GABRA1 (0.52) CYP4F2CYP4A11APOBEC3GPDCD1CD274
Alanine SCHEMBL8019732 0.76 KMT2A (0.44) CYP4F2CYP4A11PDCD1CD274LMNA
SCHEMBL477350 0.76 CYP4F2 (0.40) CYP4F2CYP4A11APOBEC3GPDCD1CD274
D-Alanine SCHEMBL8021238 0.76 KMT2A (0.44) CYP4F2CYP4A11PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763016-B1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS AXYS PHARM INC (US) 2000-01-26 EP disclosed
US-5656660-A AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR ARRIS PHARMACEUTICAL CORPORATION (US) 1997-08-12 US disclosed
EP-0763016-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-03-19 EP disclosed
WO-1995032945-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1995-12-07 WO disclosed