SCHEMBL9502777

SCHEMBL9502777

COc1ccc2c(ccn2CCCCc2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
HTR2C P28335 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMPD1 P17405 1/20 0.46
CYP17A1 P05093 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.43
HTR6 P50406 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
CYP24A1 Q07973 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL8845543 0.83 PLA2G4A (0.44) MTNR1AMTNR1BMAOAMAOBKDM4C
SCHEMBL8845775 0.82 PLG (0.45) CYP17A1HRH1KDM4CCYP24A1HDAC6
SCHEMBL18856948 0.79 MTNR1A (0.58) SLC6A2HTR2CMTNR1AMTNR1BHTR2A
SCHEMBL9502783 0.79 ITGB3 (0.48) HTR2CMTNR1AMTNR1BSMPD1HTR2A
SCHEMBL8845721 0.78 MAOA (0.44) SMPD1MAOAMAOBKDM4C
SCHEMBL4394621 0.78 MTNR1A (0.56) SLC6A2HTR2CMTNR1AMTNR1BHTR2A
SCHEMBL5841872 0.78 HTR2C (0.55) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL10413240 0.78 MTNR1A (0.59) SLC6A2HTR2CMTNR1AMTNR1BSMPD1
SCHEMBL21245824 0.77 HTR2C (0.57) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL5988329 0.77 HTR2C (0.57) HTR2CMTNR1AMTNR1BHTR2AHDAC3

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-5214058-A Acetylcholinesterase inhibitors, treatment of senile dementia HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US claimed
US-5214058-A Acetylcholinesterase inhibitors, treatment of senile dementia HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0471296-A1 1-(Pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-02-19 EP disclosed