SCHEMBL4784868

SCHEMBL4784868

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(c1ccccc1)N(c1ccccc1)C1CCN(C(=O)O)[C@@H](CCCN(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 2/20 0.42
▸ PLD1 Q13393 1/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HSD11B1 P28845 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM1 P11229 4/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL4783181 0.91 CHRM1 (0.44) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL3728528 0.88 ALDH1A1 (0.41) PLD2OPRK1OPRM1OPRL1BCHE
SCHEMBL1838677 0.87 OPRM1 (0.46) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL3403017 0.85 OPRM1 (0.50) PLD2PLD1OPRK1OPRM1OPRL1
SCHEMBL1835272 0.85 OPRM1 (0.50) PLD2PLD1OPRK1OPRM1OPRL1
SCHEMBL3666703 0.85 OPRM1 (0.51) PLD2PLD1OPRK1OPRM1OPRL1
SCHEMBL1837876 0.85 OPRM1 (0.50) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL1837901 0.85 CHRM1 (0.49) PLD2PLD1OPRK1OPRM1OPRL1
SCHEMBL1836672 0.85 OPRM1 (0.44) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL3728165 0.85 OPRM1 (0.39) PLD2PLD1OPRK1OPRM1OPRL1

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-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP claimed
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