SCHEMBL7845340

SCHEMBL7845340

CCCCOC(=O)N1CCC(Cc2cc(C)ccn2)(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.46
OPRK1 P41145 3/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
SMYD3 Q9H7B4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KCNH2 Q12809 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
SCHEMBL8442335 0.83 OPRD1 (0.43) OPRD1OPRK1LMNAPOLB
SCHEMBL7840407 0.81 OPRD1 (0.48) OPRD1OPRK1SMN1; SMN2LMNAPOLB
SCHEMBL7838387 0.76 PKM (0.44) NOS3NOS1NOS2LMNAPOLB
SCHEMBL7845341 0.72 ELANE (0.37) SMN1; SMN2LMNAALDH1A1KDM4ESMYD3
SCHEMBL9037444 0.71 OPRD1 (0.51) OPRD1OPRK1SMN1; SMN2LMNAPOLB
SCHEMBL7839337 0.71 LMNA (0.46) OPRD1OPRK1SMN1; SMN2LMNAPOLB
SCHEMBL27396277 0.69 OPRD1 (0.51) OPRD1OPRK1NOS2SMN1; SMN2LMNA
SCHEMBL1447090 0.69 OPRD1 (0.56) OPRD1OPRK1SMN1; SMN2LMNAPOLB
SCHEMBL30659245 0.69 SMN1; SMN2 (0.56) OPRD1OPRK1SMN1; SMN2LMNAPOLB
SCHEMBL346648 0.69 SMN1; SMN2 (0.56) OPRD1OPRK1SMN1; SMN2LMNAPOLB

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