SCHEMBL7902554

SCHEMBL7902554

CCc1ccc(CCC2CCC(C3CCC(C4CCC(CCCF)CC4)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MAOB P27338 6/20 0.38
MAOA P21397 1/20 0.38
KCNH2 Q12809 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL7902546 1.00 TAAR1 (0.39) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL7902558 1.00 TAAR1 (0.39) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL7902552 1.00 TAAR1 (0.39) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL10715747 0.87 MAOB (0.42) TAAR1MAOBMAOAGPR84
SCHEMBL7902604 0.86 GPR84 (0.41) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL7902599 0.86 GPR84 (0.41) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL7902609 0.86 GPR84 (0.41) TAAR1MAOBMAOAKCNH2GPR84
SCHEMBL10715873 0.86 MAOA (0.41) TAAR1MAOBMAOA
SCHEMBL21581466 0.86 MAOB (0.48) TAAR1MAOBKCNH2
SCHEMBL7912972 0.85 MAOB (0.45) MAOBMAOAKCNH2GPR84

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed