SCHEMBL9501240

SCHEMBL9501240

CC(C)NC1COc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MALT1 Q9UDY8 2/20 0.41
MAPT P10636 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 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
SCHEMBL8394386 0.81 MALT1 (0.46) TP53LMNAPOLBMALT1MAPT
SCHEMBL8394387 0.81 MALT1 (0.46) TP53LMNAPOLBMALT1MAPT
SCHEMBL8394389 0.81 MALT1 (0.46) TP53LMNAPOLBMALT1MAPT
SCHEMBL11216515 0.78 CYP19A1 (0.44) MAPT
SCHEMBL11886204 0.78 DRD2 (0.53) DRD2DRD3
SCHEMBL11067202 0.77 TP53 (0.49) TP53LMNAPOLBMALT1MAPT
SCHEMBL461002 0.76 TP53 (0.45) TP53LMNAPOLBMALT1MAPT
Hydrochloric Acid SCHEMBL21810865 0.76 TP53 (0.45) TP53LMNAPOLBMALT1MAPT
SCHEMBL8522066 0.75 CACNA1G (0.39) TP53LMNAPOLBMAPT
SCHEMBL5239331 0.74 SIGMAR1 (0.49) TP53LMNAPOLBDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
US-5030653-A N-2,6-dialkyl- or n-2,6-dialkoxyphenyl-n-arylalkylurea compounds WARNER-LAMBERT COMPANY (US) 1991-07-09 US disclosed
US-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed