SCHEMBL27450656

SCHEMBL27450656

CCCCC1CCCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL28168592 0.96 DRD4 (0.39) SIGMAR1HTR1AADRA1ADRD2DRD4
SCHEMBL28191378 0.96 DRD4 (0.39) SIGMAR1HTR1AADRA1ADRD2DRD4
Benzene SCHEMBL28236625 0.95 SIGMAR1 (0.40) SIGMAR1HTR1AADRA1ADRD4
Furan SCHEMBL28211975 0.93 SIGMAR1 (0.36) SIGMAR1HTR1AADRA1ADRD2DRD4
SCHEMBL28223991 0.92 CYP1A2 (0.40) SIGMAR1DRD2
SCHEMBL28818233 0.91 SIGMAR1 (0.35) SIGMAR1HTR1AADRA1ADRD2DRD4
Pyrrole SCHEMBL28240822 0.91 DRD4 (0.38) SIGMAR1HTR1AADRA1ADRD2DRD4
Thiophene SCHEMBL27710669 0.90 DRD4 (0.36) SIGMAR1HTR1AADRA1ADRD2DRD4
Furan SCHEMBL28230613 0.89 DRD4 (0.35) SIGMAR1DRD4
SCHEMBL27601543 0.88 SIGMAR1 (0.38) SIGMAR1HTR1A

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
CN-100582131-C Fumaric diester copolymer TOSO KK 2010-01-20 CN disclosed
CN-1814639-A Daip TOSO KK (JP) 2006-08-09 CN disclosed
CN-1235172-A Process for producing cycloolefin copolymer, cycloolefin copolymer produced by the process, and use of the copolymer HOECHST AG (DE) 1999-11-17 CN disclosed
CN-1112564-A Metallocenes and their use as catalysts HOECHST AG (DE) 1995-11-29 CN disclosed
CN-1108666-A Process for preparing polyolefins HOECHST AG (DE) 1995-09-20 CN disclosed