SCHEMBL7314712

SCHEMBL7314712

CCN1CCN(CCCN2C(=O)OC(N3CCN(CCC(=O)OC)CC3)C2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.33
CACNA1C Q13936 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
TERT O14746 1/20 0.32
KDM1A O60341 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL7317073 0.96 MEN1 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL7310453 0.93 OPRL1 (0.34) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7313049 0.92 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4ECACNA1CKDM1A
SCHEMBL7306138 0.89 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EKDM1AFPR3
SCHEMBL7308037 0.88 PKM (0.35) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7307179 0.87 OPRL1 (0.33) SMN1; SMN2FPR3FPR2
SCHEMBL7306902 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4ECACNA1CTERT
SCHEMBL7313519 0.87 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7318029 0.86 GRIN1 (0.40) SMN1; SMN2KDM4E
SCHEMBL7304525 0.86 CYP1A2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed