SCHEMBL17735805

SCHEMBL17735805

Cc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C)c(C)c5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.36
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MLNR O43193 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL15179062 0.94 PDK2 (0.39) PDK2ESR1ESR2MLNRNR1I2
SCHEMBL14729215 0.93 PDK2 (0.40) PDK2ESR1ESR2MLNRNR1I2
SCHEMBL10092991 0.92 PDK2 (0.36) PDK2ESR1ESR2MLNRNR1I2
SCHEMBL14340088 0.91 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL29462237 0.91 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL1336508 0.91 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17970833 0.91 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17447205 0.90 PDK2 (0.40) PDK2ESR1ESR2MLNRNR1I2
SCHEMBL19531987 0.90 PDK2 (0.39) PDK2ESR1ESR2MLNRNR1I2
SCHEMBL19531981 0.89 ESR2 (0.39) PDK2ESR2MLNRNR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160131985-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-12 — — US disclosed
US-20160131985-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-12 — — US disclosed
Send feedback