SCHEMBL9631397

SCHEMBL9631397

CCOC(=O)C(CCN1CCC(=Cc2ccccc2-c2ccc(C)cc2)CC1)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR7 P34969 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL9632071 0.87 PTPN1 (0.41) PTPN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9631391 0.75 OPRD1 (0.48) MEN1KMT2AKCNA3HTR7
SCHEMBL10869136 0.70 PTPN1 (0.44) PTPN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11865399 0.67 KCNH2 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2HRH1
SCHEMBL9630285 0.66 OPRM1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2800268 0.66 POLB (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL11037586 0.65 HTR7 (0.41) MEN1KMT2AMAPTHTR7DRD2
SCHEMBL11287903 0.65 HRH1 (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5526889 0.65 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1742323 0.65 POLB (0.45) MEN1KMT2AALDH1A1KDM4EMAPT

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-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed