SCHEMBL8350662

SCHEMBL8350662

COc1ccc2nc(NC(=O)CN3CCN(c4cccc(C)c4)CC3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ DRD4 P21917 1/20 0.63
▸ CLK1 P49759 1/20 0.61
▸ DRD2 P14416 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ USP2 O75604 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HTT P42858 1/20 0.59

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
SCHEMBL8356375 0.94 ALDH1A1 (0.75) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8353601 0.91 ALDH1A1 (0.70) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8354234 0.91 ALDH1A1 (0.76) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8350081 0.90 ALDH1A1 (0.69) ALDH1A1POLBKDM4EKMT2ACLK1
SCHEMBL8353968 0.90 ALDH1A1 (0.69) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8353473 0.88 ALDH1A1 (0.72) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8351251 0.88 ALDH1A1 (0.66) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8353854 0.88 ALDH1A1 (0.66) ALDH1A1POLBKDM4EKMT2ADRD2
SCHEMBL8353197 0.87 ALDH1A1 (0.65) ALDH1A1POLBKDM4EKMT2ADRD2
Hydrochloric Acid SCHEMBL8356274 0.87 ALDH1A1 (0.68) ALDH1A1POLBKDM4EKMT2ADRD2

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO claimed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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