SCHEMBL10345367

SCHEMBL10345367

CCCC1CCC(C2CCC(CCc3cccc(F)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TAAR1 Q96RJ0 3/20 0.44
SLC6A3 Q01959 2/20 0.41
HTT P42858 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL10345366 1.00 MAOA (0.53) MAOAMAOBTAAR1SLC6A3HTT
SCHEMBL10345368 1.00 MAOA (0.53) MAOAMAOBTAAR1SLC6A3HTT
SCHEMBL8031355 0.95 MAOA (0.57) MAOAMAOBTAAR1SLC6A3HTT
SCHEMBL27904615 0.95 MAOA (0.57) MAOAMAOBTAAR1SLC6A3HTT
SCHEMBL10091172 0.88 MAOA (0.53) MAOAMAOBTAAR1SLC6A3HTT
SCHEMBL10534699 0.86 MAOB (0.41) MAOAMAOBDRD2
SCHEMBL8375638 0.85 MAOA (0.53) MAOAMAOBTAAR1SLC6A3DRD2
SCHEMBL8110112 0.84 MAOB (0.36) MAOAMAOB
SCHEMBL8110108 0.84 MAOB (0.36) MAOAMAOB
SCHEMBL8904980 0.84 MAOB (0.36) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4917819-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0205998-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-02-28 EP disclosed
US-4797228-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1989-01-10 US disclosed
EP-0205998-A1 Cyclohexane derivative and liquid crystal composition containing same Chisso Corporation (JP) 1986-12-30 EP disclosed