SCHEMBL1918604

SCHEMBL1918604

CCc1cccc(C)c1-c1nc(C)c(CN(Cc2ccccc2)CC(C)(C)C)n1CCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
CRHR1 P34998 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL1913115 0.92 USP2 (0.38) USP2SMN1; SMN2HPGDCRHR1ALDH1A1
SCHEMBL652707 0.87 USP2 (0.39) USP2SMN1; SMN2HPGDCRHR1ALDH1A1
SCHEMBL651107 0.79 TSHR (0.38) USP2SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL648275 0.77 TLR7 (0.34) USP2ALDH1A1CYP3A4CYP1A2TSHR
SCHEMBL648645 0.70 PPARG (0.35) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL650433 0.68 CRHR1 (0.36) USP2HPGDCRHR1ALDH1A1MAPK1
SCHEMBL649555 0.68 SMN1; SMN2 (0.35) USP2SMN1; SMN2CRHR1ALDH1A1KDM4E
SCHEMBL649322 0.64 SQLE (0.35) TLR7
SCHEMBL5929010 0.64 ALDH1A1 (0.35) USP2HPGDALDH1A1MAPK1CYP3A4
SCHEMBL29377889 0.63 TSHR (0.50) ALDH1A1KDM4EMAPK1TSHRMEN1

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed