SCHEMBL22335124

SCHEMBL22335124

O=CNc1ccc(C2CC2CCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.46
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 4/20 0.41
HTR2B P41595 6/20 0.38
HTR2A P28223 4/20 0.38
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.37
FFAR1 O14842 1/20 0.37
CNR1 P21554 1/20 0.37
SLC1A2 P43004 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL5834701 0.78 HTR2C (0.55) HTR2CKDM1AHTR2BHTR2AMAOB
SCHEMBL22334952 0.77 ALDH1A1 (0.57) HTR2CALDH1A1KDM1AMAOBMAOA
SCHEMBL20308867 0.76 KDM1A (0.48) KDM1AMAOBMAOA
SCHEMBL22334943 0.76 ALDH1A1 (0.38) HTR2CALDH1A1HTR2BHTR2AMAOB
SCHEMBL22335047 0.76 HTR2C (0.54) HTR2CKDM1AHTR2BHTR2AMAOB
SCHEMBL22334901 0.74 KDM1A (0.65) KDM1AMAOBMAOARCOR1
SCHEMBL22335090 0.73 HTT (0.53) KDM1AMAOBMAOARCOR1
SCHEMBL28829908 0.72 HTR2C (0.56) HTR2CKDM1AMAOBMAOA
SCHEMBL20308864 0.69 KDM1A (0.44) KDM1AMAOBMAOARCOR1
SCHEMBL14855299 0.68 ALDH1A1 (0.64) ALDH1A1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed