SCHEMBL20868550

SCHEMBL20868550

OCC1(F)CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ SIGMAR1 Q99720 3/20 0.56
▸ OPRL1 P41146 3/20 0.52
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CACNA1G O43497 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DOCK5 Q9H7D0 1/20 0.43
▸ GPR183 P32249 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
SCHEMBL20868074 0.85 SMN1; SMN2 (0.53) SMN1; SMN2POLBSIGMAR1OPRL1MAPT
SCHEMBL20868155 0.80 L3MBTL1 (0.51) POLBSIGMAR1OPRL1FAAHKCNH2
SCHEMBL1290790 0.80 OPRL1 (0.58) POLBSIGMAR1OPRL1ALDH1A1MEN1
SCHEMBL23230047 0.77 ALDH1A1 (0.44) SMN1; SMN2HTTALDH1A1OPRM1
SCHEMBL632458 0.76 POLB (0.49) SMN1; SMN2POLBSIGMAR1OPRL1HTT
SCHEMBL3661082 0.76 SMN1; SMN2 (0.61) SMN1; SMN2POLBSIGMAR1OPRL1HTT
SCHEMBL6795896 0.76 POLB (0.96) SMN1; SMN2POLBSIGMAR1HTTKDM4E
SCHEMBL20697810 0.75 SMN1; SMN2 (0.45) SMN1; SMN2POLBSIGMAR1OPRL1HTT
SCHEMBL20868522 0.74 ATM (0.56) SMN1; SMN2POLBMAPTKDM4EALDH1A1
SCHEMBL24023500 0.74 POLB (1.00) SMN1; SMN2POLBSIGMAR1HTTKDM4E

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
WO-2019062848-A1 N-(SUBSTITUTED SULFONYL)BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2019-04-04 — — WO disclosed
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