SCHEMBL6620732

SCHEMBL6620732

COc1ccc(CCN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ F10 P00742 6/20 0.48
▸ POLB P06746 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL6624933 0.88 DRD2 (0.56) KMT2AALDH1A1MEN1KDM4EF10
SCHEMBL5183896 0.81 LDHA (0.52) KMT2AALDH1A1MEN1HPGDDRD3
SCHEMBL5242857 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MEN1SMN1; SMN2POLB
SCHEMBL5904984 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL5240284 0.76 KCNA5 (0.55) KMT2AALDH1A1MEN1KDM4EF10
SCHEMBL5242494 0.76 KCNA5 (0.55) KMT2AALDH1A1MEN1KDM4EF10
SCHEMBL4710389 0.76 HPGD (0.48) KMT2AALDH1A1MEN1SMN1; SMN2POLB
SCHEMBL5240107 0.76 KCNA5 (0.54) KMT2AALDH1A1MEN1KDM4EF10
SCHEMBL6620774 0.75 SIGMAR1 (0.47) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL5183561 0.75 LMNA (0.52) KMT2AALDH1A1MEN1SMN1; SMN2TSHR

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
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 — — EP disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 — — WO disclosed
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