SCHEMBL9632071

SCHEMBL9632071

CCOC(=O)C(CCCN1CCC(=Cc2ccccc2-c2ccc(F)cc2)CC1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CACNA1G O43497 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HTR7 P34969 1/20 0.37
CHRM3 P20309 2/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
MC4R P32245 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKCZ Q05513 1/20 0.35

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
SCHEMBL9631397 0.87 PTPN1 (0.38) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9632061 0.77 OPRD1 (0.50) CACNA1GALDH1A1MEN1KMT2AKDM4E
SCHEMBL11037164 0.75 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4EDRD3
SCHEMBL8316992 0.75 HRH3 (0.39) ALDH1A1MEN1KMT2AKDM4EDRD2
SCHEMBL10932484 0.74 MAPT (0.49) ALDH1A1GAADRD2DRD4DRD3
SCHEMBL11036104 0.74 KDM4E (0.41) ALDH1A1MEN1KMT2AKDM4EDRD2
SCHEMBL10559968 0.72 KCNH2 (0.49) ALDH1A1MEN1KMT2AKDM4EDRD2
SCHEMBL10963542 0.71 HTR2A (0.54) ALDH1A1KDM4EHTR7HRH2HRH1
Oxalic Acid SCHEMBL10558317 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EDRD2
SCHEMBL9630285 0.70 OPRM1 (0.44) ALDH1A1MEN1KMT2AKDM4EDRD2

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-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed