SCHEMBL10840056

SCHEMBL10840056

CC1(C)CCc2cc(Cl)cc(Cl)c2N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.36
▸ AR P10275 10/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SRD5A1 P18405 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SPR P35270 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ PGR P06401 3/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL10840092 0.84 PDE7A (0.40) PDE7AARPGRAKT1
SCHEMBL10840084 0.84 AKT1 (0.41) ARSRD5A1CES1HTR2AHTR2C
SCHEMBL10841141 0.75 AHR (0.43) PDE7AARADRA2ACES1HTR2A
SCHEMBL10877453 0.75 PTGS1 (0.39) MEN1KMT2AHTR2AAKR1B1AKT1
SCHEMBL10840683 0.71 HTR2A (0.37) PDE7AARADRA2ASRD5A1CES1
SCHEMBL10841146 0.71 AR (0.47) ARADRA2ASRD5A1HTR2AHTR2C
SCHEMBL10840689 0.70 AR (0.49) ARPGRNR3C2
SCHEMBL10841314 0.70 CES1 (0.38) PDE7AARSRD5A1CES1HTR2A
SCHEMBL31243559 0.68 HTR2A (0.46) PDE7AARSRD5A1HTR2AHTR2C
SCHEMBL4869956 0.67 MEN1 (0.56) MEN1KMT2AL3MBTL1CES1DNMT1

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-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
Send feedback