SCHEMBL652707

SCHEMBL652707

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.34
CRHR1 P34998 2/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 1/20 0.33
PTGER4 P35408 1/20 0.33
PKM P14618 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
ADORA2B P29275 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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 0.95 USP2 (0.38) USP2SMN1; SMN2HPGDCRHR1ALDH1A1
SCHEMBL651107 0.92 TSHR (0.38) USP2SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL648275 0.89 TLR7 (0.34) USP2ALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL1918604 0.87 USP2 (0.38) USP2SMN1; SMN2HPGDCRHR1ALDH1A1
SCHEMBL650433 0.82 CRHR1 (0.36) USP2HPGDCRHR1ALDH1A1
SCHEMBL5929010 0.78 ALDH1A1 (0.35) USP2HPGDALDH1A1HSD17B10PTGER4
SCHEMBL1912823 0.76 ALDH1A1 (0.47) USP2SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL648638 0.75 KMT2A (0.32) CRHR1MEN1KMT2APTGER4
SCHEMBL649555 0.73 SMN1; SMN2 (0.35) USP2SMN1; SMN2CRHR1ALDH1A1KDM4E
SCHEMBL1913119 0.73 PTGDR2 (0.34) MEN1KMT2ACYP2C9CYP2C19

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 2 patents. 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
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed