SCHEMBL9813063

SCHEMBL9813063

c1ccc(SCN2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR3A P46098 3/20 0.45
HTR1A P08908 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL9813058 1.00 SIGMAR1 (0.53) SIGMAR1ALDH1A1KDM4ECHRM2CHRM4
SCHEMBL3920722 0.82 ALDH1A1 (0.51) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11375264 0.81 ALDH1A1 (0.64) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1930719 0.80 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4ECHRM2CHRM1
SCHEMBL9346869 0.79 ALDH1A1 (0.60) SIGMAR1ALDH1A1KDM4ECHRM2CHRM4
SCHEMBL6537026 0.79 MAPT (0.56) SIGMAR1ALDH1A1KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL11272257 0.78 KMT2A (0.50) SIGMAR1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL21896503 0.78 KDM4E (0.67) SIGMAR1ALDH1A1KDM4ECHRM2CHRM4
SCHEMBL9813060 0.77 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL17335821 0.74 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4EMEN1KMT2A

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
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP claimed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 EP claimed
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP disclosed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 EP disclosed