SCHEMBL7840407

SCHEMBL7840407

CCCCOC(=O)N1CCC(Cc2cccc(C)c2)(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7838418 0.85 MEN1 (0.48) OPRD1OPRK1ALDH1A1MEN1KMT2A
SCHEMBL7839337 0.85 LMNA (0.46) OPRD1OPRK1ALDH1A1KMT2AL3MBTL1
SCHEMBL7831649 0.82 GPR119 (0.49) OPRD1OPRK1MEN1KMT2ASSTR1
SCHEMBL7845340 0.81 OPRD1 (0.46) OPRD1OPRK1ALDH1A1MEN1KMT2A
SCHEMBL30601850 0.78 SSTR4 (0.53) ALDH1A1KMT2ASSTR1SSTR4CHRM2
SCHEMBL26127865 0.78 SSTR4 (0.53) ALDH1A1KMT2ASSTR1SSTR4CHRM2
SCHEMBL27347699 0.76 SSTR4 (0.48) ALDH1A1MEN1KMT2ASSTR1SSTR4
SCHEMBL1447090 0.73 OPRD1 (0.56) OPRD1OPRK1MEN1KMT2ALMNA
SCHEMBL7974238 0.73 L3MBTL1 (0.47) OPRD1OPRK1ALDH1A1MEN1KMT2A
SCHEMBL7839962 0.73 LMNA (0.44) OPRD1OPRK1ALDH1A1HRH2HRH1

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed