SCHEMBL6185872

SCHEMBL6185872

COc1cccc(C2(O)CCN(C(Cl)C=O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.62
OPRK1 P41145 7/20 0.62
OPRL1 P41146 7/20 0.62
OPRD1 P41143 6/20 0.62
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.46
GRIN2B Q13224 3/20 0.42

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
SCHEMBL6183998 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL23384015 0.81 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL10389866 0.78 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL31557718 0.78 OPRM1 (0.64) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL2588266 0.76 ALDH1A1 (0.73) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL4815044 0.75 ALDH1A1 (0.67) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL8046465 0.75 ALDH1A1 (0.67) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL1660644 0.75 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL6831189 0.75 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL3079753 0.73 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed