SCHEMBL8917695

SCHEMBL8917695

COc1cc(F)ccc1C(=O)C1CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
PIN1 Q13526 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
KDM2B Q8NHM5 3/20 0.42
CPS1 P31327 1/20 0.41
HTR2A P28223 1/20 0.41
GRM2 Q14416 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4672823 0.81 CES2 (0.50) HSD11B1KMT2AALDH1A1CPS1MEN1
SCHEMBL4674606 0.75 KEAP1 (0.51) HSD11B1KMT2APIN1ALDH1A1MEN1
SCHEMBL9820662 0.74 KDM4E (0.56) KMT2ALMNAPIN1ALDH1A1HTT
SCHEMBL27709578 0.73 NPC1 (0.51) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL4673461 0.73 GAA (0.39) HSD11B1KMT2AALDH1A1HTTMEN1
SCHEMBL8280196 0.72 HSD11B1 (0.44) HSD11B1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL30675620 0.72 ALDH1A1 (0.62) LMNASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL1020142 0.72 SMN1; SMN2 (0.49) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL927338 0.72 ALDH1A1 (0.62) LMNASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL30134039 0.72 SMN1; SMN2 (0.49) KMT2ALMNASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed