SCHEMBL7811907

SCHEMBL7811907

COCCN(C)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SLC6A9 P48067 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
USP2 O75604 1/20 0.41
HIF1A Q16665 1/20 0.40
BUB1 O43683 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
KCNK3 O14649 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7804645 0.86 KMT2A (0.46) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL3295365 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBSLC6A9
SCHEMBL4175324 0.80 KMT2A (0.49) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL7817761 0.78 SLC6A3 (0.40) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL72964 0.74 CYP3A4 (0.49) ALDH1A1KMT2AMEN1SLC6A9OPRD1
SCHEMBL20594076 0.73 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1SLC6A9
SCHEMBL5458127 0.73 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL85386 0.71 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1SLC6A9
SCHEMBL70442 0.71 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5461890 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SLC6A9OPRD1

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-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed