SCHEMBL10468538

SCHEMBL10468538

CCCCn1c(C)c([C@@H](C)[C@@H](N)C(=O)OC)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CNR2 P34972 14/20 0.47
▸ CNR1 P21554 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A3 Q01959 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
SCHEMBL10466593 0.85 PSEN1 (0.54) KDM4ECNR2ALDH1A1
SCHEMBL10467315 0.82 ALDH1A1 (0.43) KDM4EALDH1A1HTT
SCHEMBL10468849 0.80 CNR2 (0.41) KDM4ELMNACNR2ALDH1A1
SCHEMBL10467764 0.79 CNR2 (0.45) KDM4ELMNACNR2CNR1
SCHEMBL10466621 0.78 PSEN1 (0.48) KDM4EALDH1A1
SCHEMBL9657145 0.75 PGR (0.54) KDM4ELMNACNR2CNR1ALDH1A1
SCHEMBL10467547 0.72 HSD17B10 (0.45) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL10467794 0.71 KDM4E (0.54) KDM4ECNR2CNR1ALDH1A1
SCHEMBL9816222 0.71 CNR2 (0.53) KDM4ECNR2CNR1ALDH1A1MAPK1
SCHEMBL9658044 0.71 RORA (0.49) KDM4ELMNACNR2CNR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 — — US disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 — — EP disclosed
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