SCHEMBL6620774

SCHEMBL6620774

COc1ccc(CCN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.47
▸ CD274 Q9NZQ7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL5242857 0.87 ALDH1A1 (0.53) SIGMAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL1332850 0.80 CHRM3 (0.56) SIGMAR1MEN1KMT2ACHRM3
SCHEMBL6624933 0.77 DRD2 (0.56) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5183896 0.77 LDHA (0.52) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL6140255 0.77 VEGFA (0.53) ALDH1A1MEN1TSHRKMT2ACHRM2
SCHEMBL2730746 0.76 KCNH2 (0.71) KCNH2
SCHEMBL22800973 0.76 KMT2A (0.47) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL6620732 0.75 KMT2A (0.50) ALDH1A1MEN1TSHRKMT2APOLB
SCHEMBL5815688 0.75 KDM4E (0.55) SIGMAR1ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL3712707 0.74 MEN1 (0.59) SIGMAR1MEN1KMT2ACHRM2CHRM4

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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