SCHEMBL29633580

SCHEMBL29633580

OCCC1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
CYP19A1 P11511 2/20 0.44
MAPT P10636 1/20 0.42
GBA1 P04062 1/20 0.40
ADRA2A P08913 1/20 0.39
ESR2 Q92731 1/20 0.38
FYN P06241 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL1338863 1.00 IDO1 (0.53) IDO1CYP19A1MAPTGBA1ADRA2A
SCHEMBL10530881 0.86 IDO1 (0.50) IDO1CYP19A1MAPTGBA1ADRA2A
SCHEMBL9567953 0.86 GBA1 (0.55) IDO1CYP19A1GBA1SIGMAR1
SCHEMBL10957708 0.81 SIGMAR1 (0.50) IDO1CYP19A1SIGMAR1HTR2A
SCHEMBL835059 0.80 IDO1 (0.47) IDO1CYP19A1MAPTGBA1ADRA2A
SCHEMBL29447948 0.80 IDO1 (0.47) IDO1CYP19A1MAPTGBA1ADRA2A
SCHEMBL22868015 0.77 SLC6A2 (0.39) IDO1SIGMAR1
SCHEMBL9692838 0.77 SIGMAR1 (0.50) SIGMAR1HTR2A
SCHEMBL30046780 0.77 CYP19A1 (0.38) IDO1CYP19A1ADRA2ADRD3
SCHEMBL9245611 0.77 CYP19A1 (0.38) IDO1CYP19A1ADRA2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed