SCHEMBL11089665

SCHEMBL11089665

COc1cc(NC(C)=O)c(Cl)cc1NC(=O)CC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11094863 0.90 HPGD (0.47) DRD4DRD2DRD3HPGDPOLB
SCHEMBL11093546 0.88 DRD2 (0.60) DRD4DRD2DRD3HPGD
SCHEMBL11092131 0.87 DRD4 (0.51) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL11096893 0.86 SMN1; SMN2 (0.58) POLBALDH1A1MEN1KMT2A
SCHEMBL11096795 0.85 NPC1 (0.48) DRD2HPGDPOLBALDH1A1MEN1
SCHEMBL11096164 0.79 CXCR6 (0.48) DRD4DRD2DRD3
SCHEMBL11270191 0.79 CXCR4 (0.47) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL11092436 0.79 MEN1 (0.51) DRD4DRD2DRD3POLBMEN1
SCHEMBL11096744 0.78 UBE2M (0.45) DRD4DRD2DRD3HPGDGAA
SCHEMBL11098468 0.78 TSHR (0.44) DRD4DRD2DRD3

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
EP-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP disclosed