SCHEMBL9047487

SCHEMBL9047487

COc1ccc(CCN(C)CCCNC(=O)CCc2cccc(C#N)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PTGER1 P34995 1/20 0.49
OPRM1 P35372 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 4/20 0.48
OPRK1 P41145 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
SMPD1 P17405 1/20 0.46

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
SCHEMBL9047060 0.92 KMT2A (0.56) MEN1KMT2APTGER1OPRM1TMEM97
SCHEMBL9046860 0.86 MEN1 (0.53) MEN1KMT2AOPRM1TMEM97SIGMAR1
SCHEMBL8828332 0.84 OPRM1 (0.47) PTGER1OPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828302 0.82 LMNA (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8828260 0.79 OPRM1 (0.47) MEN1KMT2APTGER1OPRM1TMEM97
SCHEMBL8828430 0.77 MAPT (0.59) MEN1KMT2AOPRM1MAPTALDH1A1
SCHEMBL8828184 0.76 OPRM1 (0.49) MEN1KMT2AOPRM1TMEM97SIGMAR1
SCHEMBL10985999 0.76 CYP3A4 (0.53) MEN1KMT2AOPRM1TMEM97SIGMAR1
SCHEMBL9809676 0.75 OPRM1 (0.58) OPRM1TMEM97SIGMAR1MAPTOPRK1
SCHEMBL9425666 0.74 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed