SCHEMBL7838418

SCHEMBL7838418

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
OPRK1 P41145 2/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 4/20 0.46
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 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

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
SCHEMBL7840407 0.85 OPRD1 (0.48) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL7831085 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1GAAOPRK1
SCHEMBL17009523 0.81 KMT2A (0.46) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL7844521 0.80 POLB (0.58) MEN1KMT2AALDH1A1GAAOPRK1
SCHEMBL30196140 0.76 NPC1 (0.49) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL7839195 0.74 HRH2 (0.39) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL7839962 0.73 LMNA (0.44) ALDH1A1OPRK1OPRD1LMNAHRH2
SCHEMBL30136060 0.73 POLB (0.56) ALDH1A1OPRK1OPRD1LMNAHRH2
SCHEMBL7832576 0.72 GPR119 (0.48) ALDH1A1GAAOPRK1OPRD1LMNA
SCHEMBL5592248 0.72 OPRD1 (0.55) GAAOPRK1OPRD1LMNAHRH2

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