SCHEMBL4083007

SCHEMBL4083007

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)NC2CCc3ccccc32)CC1.CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NC2CCc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 2/20 0.41
EPHX2 P34913 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ACKR3 P25106 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FADS1 O60427 1/20 0.39

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
SCHEMBL206834 0.97 DHODH (0.48) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL207293 0.94 DHODH (0.48) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL205940 0.92 DHODH (0.55) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL205814 0.87 LMNA (0.44) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5160034 0.87 DHODH (0.40) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL206084 0.84 EPHX2 (0.47) EPHX2THRBHPGDSIGMAR1
SCHEMBL5158451 0.83 DHODH (0.35) DHODHMEN1KMT2ATHRBNPSR1
SCHEMBL206620 0.82 EPHX2 (0.46) ALDH1A1EPHX2THRBHPGDSIGMAR1
SCHEMBL207557 0.82 LMNA (0.52) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL206966 0.81 EPHX2 (0.62) MEN1KMT2AEPHX2THRBHPGD

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed