SCHEMBL9654792

SCHEMBL9654792

O=C(C=Cc1ccc(C(F)(F)F)cc1)N1CCSCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.62
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
HDAC3 O15379 1/20 0.51
ADAM17 P78536 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL9654801 1.00 GPR183 (0.62) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599255 0.84 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL19385657 0.84 GPR183 (0.67) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599253 0.84 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL1615026 0.84 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL19385656 0.84 GPR183 (0.67) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL1615028 0.84 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9654402 0.83 RAB9A (0.75) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599161 0.83 GPR183 (0.65) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599159 0.83 GPR183 (0.65) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824842-A Cinnamoyl piperidines and thiomorpholine and cerebral protection compositions KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1989-04-25 US claimed
EP-0192431-A2 Agent for cerebral protection KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1986-08-27 EP claimed
EP-0192431-B1 AGENT FOR CEREBRAL PROTECTION KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-12-16 EP disclosed
US-4962107-A IMPROVED SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1990-10-09 US disclosed
US-4824842-A Cinnamoyl piperidines and thiomorpholine and cerebral protection compositions KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1989-04-25 US disclosed
EP-0192431-A2 Agent for cerebral protection KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1986-08-27 EP disclosed