SCHEMBL9693136

SCHEMBL9693136

NC(=O)CNC1c2ccccc2CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KDM1A O60341 1/20 0.46
ACP3 P15309 1/20 0.46
RET P07949 1/20 0.44
HTR2A P28223 1/20 0.44
ENPP2 Q13822 1/20 0.41
HTT P42858 2/20 0.40
SMPD1 P17405 2/20 0.40
OPRM1 P35372 1/20 0.40
XIAP P98170 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SCN3A Q9NY46 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9248431 0.85 HTR2C (0.64) HTR2CSLC6A3ACP3RETHTR2A
SCHEMBL9693397 0.82 TBXAS1 (0.46) HTR2CSLC6A3KDM1AHTR2A
SCHEMBL9691458 0.81 GAA (0.58) HTR2CSLC6A3KDM1AALDH1A1KMT2A
SCHEMBL9693300 0.81 KDM1A (0.40) HTR2CSLC6A3KDM1AALDH1A1SCN3A
SCHEMBL7528263 0.81 MAPT (0.47) KDM1AKMT2ALMNAGAAMEN1
SCHEMBL7144293 0.81 SCN3A (0.56) KDM1AHTTALDH1A1KMT2ASCN3A
SCHEMBL7144288 0.81 SCN3A (0.56) KDM1AHTTALDH1A1KMT2ASCN3A
Hydrochloric Acid SCHEMBL195248 0.80 SCN3A (0.55) KDM1AHTTALDH1A1KMT2ASCN3A
SCHEMBL5193757 0.78 ALDH1A1 (0.58) HTTALDH1A1KMT2ALMNAGAA
SCHEMBL9693099 0.78 KDM1A (0.44) HTR2CSLC6A3KDM1ARETHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141960-A Central nervous system disorders G. D. SEARLE & CO. (US) 1992-08-25 US claimed
US-5141960-A Central nervous system disorders G. D. SEARLE & CO. (US) 1992-08-25 US disclosed