SCHEMBL9580243

SCHEMBL9580243

O=C(O)C1CCn2c1cc(-c1ccccc1)c2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 3/20 0.49
RAC1 P63000 3/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
CHRM3 P20309 2/20 0.49
NPC1 O15118 1/20 0.49
OPRM1 P35372 1/20 0.49
RAB9A P51151 1/20 0.49
PAK1 Q13153 1/20 0.49
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
ABCC4 O15439 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL10514151 0.87 CDC42 (0.40) CDC42RAC1PTGS2PTGS1CHRM3
SCHEMBL10513326 0.77 CA12 (0.41) NPC1RAB9AHTTLMNANFKB1
SCHEMBL9088673 0.74 CDC42 (0.60) CDC42RAC1PTGS2PTGS1CHRM3
Fumaric Acid SCHEMBL9432148 0.70 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL11603510 0.69 CDC42 (0.60) CDC42RAC1PTGS2PTGS1CHRM3
SCHEMBL11265451 0.69 CDC42 (0.60) CDC42RAC1PTGS2PTGS1CHRM3
Biphenyl SCHEMBL27297012 0.68 CDC42 (0.46) CDC42RAC1PTGS2PTGS1CHRM3
SCHEMBL10934380 0.68 CDC42 (0.59) CDC42RAC1PTGS2PTGS1CHRM3
SCHEMBL10934382 0.67 CDC42 (0.45) CDC42RAC1PTGS2PTGS1CHRM3
SCHEMBL11602554 0.67 CDC42 (0.48) CDC42RAC1PTGS2PTGS1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330283-A1 Novel 5,6-diphenyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1989-08-30 EP claimed
JP-5301875-A None JP disclosed
JP-H05301875-A NEW 5,6-DIPHENYL-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBOXYLIC ACID DERIVATIVE HISAMITSU PHARMACEUT CO INC 1993-11-16 JP disclosed
CN-1036956-A New 5,6-phenylbenzene-1, the preparation method of 2-dihydro-3H-pyrrolo-[1,2-a] pyrroles-1-carboxylic acid derivative HISAMITSU PHARMACEUTICAL CO (JP) 1989-11-08 CN disclosed
EP-0330283-A1 Novel 5,6-diphenyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1989-08-30 EP disclosed
EP-0330283-A1 Novel 5,6-diphenyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1989-08-30 EP disclosed
EP-0330283-A1 Novel 5,6-diphenyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1989-08-30 EP disclosed