SCHEMBL9499564

SCHEMBL9499564

NC(O)C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
PDPK1 O15530 1/20 0.43
RET P07949 1/20 0.41
HTR2A P28223 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR6 P50406 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
SCHEMBL9500102 0.89 IDO1 (0.50) IDO1
SCHEMBL7117304 0.84 IDO1 (0.50) IDO1PDPK1RETHTR2ACA1
SCHEMBL19838830 0.81 PDPK1 (0.47) IDO1PDPK1CYP11B2HTR6
SCHEMBL11498923 0.81 HTR2A (0.52) IDO1PDPK1RETHTR2ACA1
SCHEMBL13115630 0.81 HTR2A (0.52) IDO1PDPK1RETHTR2ACA1
SCHEMBL255287 0.79 IDO1 (0.42) IDO1CA1CA2CYP11B2
SCHEMBL30481743 0.79 IDO1 (0.42) IDO1CA1CA2CYP11B2
SCHEMBL5965470 0.79 IDO1 (0.42) IDO1CA1CA2CYP11B2
SCHEMBL31609333 0.79 IDO1 (0.42) IDO1CA1CA2CYP11B2
SCHEMBL7678037 0.78 PDPK1 (0.44) IDO1PDPK1CYP11B2HTR6

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 10 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
EP-0179667-B1 N6-SUBSTITUTED ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-12-27 EP disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4791103-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1988-12-13 US disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 EP disclosed
US-4505932-A AMINOMETHYL-DIHYDROXY (DIALKOXY)-INDOLE, HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1985-03-19 US disclosed