SCHEMBL22738296

SCHEMBL22738296

O=C([C@H]1CCCO1)N1CCC(Sc2ccc(-c3cnc4ccccc4c3Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ LMNA P02545 2/20 0.38

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
SCHEMBL18318950 0.84 NAMPT (0.53) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18318951 0.84 NAMPT (0.53) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321605 0.84 ALDH1A1 (0.45) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321604 0.84 ALDH1A1 (0.45) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321430 0.83 FASN (0.43) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL22710687 0.83 FASN (0.43) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321427 0.83 FASN (0.43) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321573 0.79 ALDH1A1 (0.44) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18321574 0.79 ALDH1A1 (0.44) FASNKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL31696873 0.79 ALDH1A1 (0.44) FASNKDM4EHTTALDH1A1SMN1; SMN2

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
EP-3310773-B1 SUBSTITUTED 4-BENZYL AND 4-BENZOYL PIPERIDINE DERIVATIVES 89BIO LTD (IL) 2020-12-02 — — EP disclosed
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