SCHEMBL7845341

SCHEMBL7845341

CCCCOC(=O)OC(=O)C1(Cc2cc(C)ccn2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.37
OPRM1 P35372 1/20 0.34
SYK P43405 5/20 0.34
AURKB Q96GD4 5/20 0.34
INCENP Q9NQS7 5/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL7840409 0.81 SSTR4 (0.42) ELANEOPRM1KMT2ALMNAHPGD
SCHEMBL7845340 0.72 OPRD1 (0.46) OPRM1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL7839338 0.71 CACNA1F (0.44) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL13278538 0.70 POLB (0.53) OPRM1KMT2ALMNAMEN1ALDH1A1
SCHEMBL22366449 0.67 L3MBTL1 (0.47) LMNAHPGDSMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7842057 0.67 SYK (0.35) OPRM1SYKAURKBINCENPKMT2A
SCHEMBL7838387 0.65 PKM (0.44) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL23189019 0.65 TSHR (0.50) KMT2ALMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL13278434 0.63 ALDH1A1 (0.55) OPRM1KMT2ALMNAMEN1ALDH1A1
SCHEMBL13278520 0.63 OPRM1 (0.51) OPRM1KMT2ALMNASMN1; SMN2MEN1

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