Sugi Predict

Sugi Predict / Compounds / SCHEMBL7913025

SCHEMBL7913025

SCHEMBL7913025

CCC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](CCc4ccc(CCF)cc4)CC3)CC2)CC1.FCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL7913024 1.00 HRH3 (0.41) HRH3KCNH2CARM1PRMT6MAOA
SCHEMBL7913021 1.00 HRH3 (0.41) HRH3KCNH2CARM1PRMT6MAOA
SCHEMBL8728765 0.90 MAOB (0.42) HRH3KCNH2MAOAMAOB
SCHEMBL7916332 0.90 MAOB (0.42) HRH3MAOAMAOBMAPTMAPK1
SCHEMBL8728770 0.90 MAOB (0.42) HRH3KCNH2MAOAMAOB
SCHEMBL8728768 0.90 MAOB (0.42) HRH3KCNH2MAOAMAOB
SCHEMBL7916336 0.90 MAOB (0.42) HRH3MAOAMAOBMAPTMAPK1
SCHEMBL7916329 0.90 MAOB (0.42) HRH3MAOAMAOBMAPTMAPK1
SCHEMBL8728763 0.90 MAOB (0.42) HRH3KCNH2MAOAMAOB
SCHEMBL7916343 0.90 MAOB (0.42) HRH3MAOAMAOBMAPTMAPK1

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
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 — — US disclosed