SCHEMBL7320195

SCHEMBL7320195

CO[C@H]1CN(CCOC(=O)Oc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.41
SLC18A3 Q16572 1/20 0.39
OPRM1 P35372 3/20 0.38
KDM4E B2RXH2 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
Hydrochloric Acid SCHEMBL7298416 0.99 LTA4H (0.41) LTA4HSLC18A3OPRM1KDM4EOPRD1
SCHEMBL707641 0.81 KMT2A (0.42) SLC18A3OPRM1OPRD1OPRK1
SCHEMBL7296841 0.81 KMT2A (0.42) SLC18A3OPRM1OPRD1OPRK1
SCHEMBL1525667 0.81 KMT2A (0.42) SLC18A3OPRM1OPRD1OPRK1
SCHEMBL706372 0.81 KMT2A (0.38) LTA4HOPRM1OPRD1OPRK1
SCHEMBL7293732 0.80 SLC6A2 (0.40) LTA4HOPRM1OPRD1OPRK1
SCHEMBL7293742 0.80 SLC6A2 (0.40) LTA4HOPRM1OPRD1OPRK1
SCHEMBL7293726 0.80 SLC6A2 (0.40) LTA4HOPRM1OPRD1OPRK1
SCHEMBL8236994 0.79 HTR7 (0.41) OPRM1OPRD1OPRK1
SCHEMBL13566531 0.78 KDM4E (0.41) OPRM1KDM4EOPRD1OPRK1

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-0309043-A2 Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-29 EP disclosed