SCHEMBL6164516

SCHEMBL6164516

COC1C=CCCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.37
PDPK1 O15530 1/20 0.37
GID4 Q8IVV7 1/20 0.36
RECQL P46063 1/20 0.36
HTR2A P28223 2/20 0.35
RET P07949 1/20 0.35
PRCP P42785 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
CETP P11597 1/20 0.35
DRD1 P21728 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL10346039 0.81 IDO1 (0.39) IDO1PDPK1GID4RECQLHTR2A
SCHEMBL15499549 0.71 CA4 (0.35) HTR2C
SCHEMBL5749728 0.69 DRD1 (0.35) IDO1PDPK1GID4HTR2APRCP
SCHEMBL16866691 0.69 HTR2A (0.47) IDO1PDPK1GID4HTR2ARET
SCHEMBL8212470 0.69 CHRNA7 (0.49) IDO1PDPK1GID4HTR2ARET
SCHEMBL6112737 0.68 ALDH1A1 (0.41) CETP
SCHEMBL1804088 0.67
SCHEMBL21300294 0.66 IDO1 (0.66) IDO1PDPK1CYP11B2PIN1
SCHEMBL14209228 0.66 IDO1 (0.66) IDO1PDPK1CYP11B2PIN1
SCHEMBL447420 0.66 IDO1 (0.66) IDO1PDPK1CYP11B2PIN1

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
EP-1558582-B1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-12-21 EP disclosed