SCHEMBL7804645

SCHEMBL7804645

CN(CCO)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
SLC6A9 P48067 1/20 0.44
OPRD1 P41143 4/20 0.44
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CACNA1H O95180 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL7811907 0.86 KDM4E (0.44) KMT2AALDH1A1MEN1POLBSLC6A9
SCHEMBL4175324 0.83 KMT2A (0.49) KMT2AALDH1A1MEN1POLBSLC6A9
SCHEMBL3295365 0.78 ALDH1A1 (0.43) KMT2AALDH1A1MEN1POLBSLC6A9
SCHEMBL20594076 0.76 KMT2A (0.57) KMT2AALDH1A1MEN1SLC6A9OPRD1
SCHEMBL85386 0.74 ALDH1A1 (0.54) KMT2AALDH1A1MEN1SLC6A9OPRD1
SCHEMBL5461890 0.74 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SLC6A9OPRD1
SCHEMBL12499368 0.71 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SLC6A9OPRD1
SCHEMBL3296869 0.71 CACNA2D1 (0.51) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24873255 0.71 ALDH1A1 (0.48) KMT2AALDH1A1MEN1SLC6A9OPRD1
SCHEMBL72964 0.71 CYP3A4 (0.49) KMT2AALDH1A1MEN1SLC6A9OPRD1

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 4 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
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed