SCHEMBL6979696

SCHEMBL6979696

CNC(=O)C1(N2CCOCC2=O)CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6160228 0.80 CYP1A2 (0.33) KDM4EKMT2A
SCHEMBL6946153 0.74 CYP1A2 (0.33) KDM4EKMT2ASMN1; SMN2
SCHEMBL7815578 0.71 MEN1 (0.55) KDM4EKMT2ASMN1; SMN2
SCHEMBL15322148 0.71 SMN1; SMN2 (0.38) POLBGAASMN1; SMN2
SCHEMBL8301176 0.69 HTT (0.36) KMT2A
SCHEMBL6175645 0.68 HSD11B1 (0.38) KDM4EKMT2APOLBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL4611963 0.67 HSD11B1 (0.37) KDM4EKMT2AGAASMN1; SMN2
SCHEMBL27661416 0.67 SMN1; SMN2 (0.37) KDM4EKMT2APOLBGAASMN1; SMN2
SCHEMBL6158571 0.65 PPIA (0.35)
SCHEMBL13208084 0.64 POLB (0.39) KMT2APOLBGAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119355-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-01-08 EP disclosed
US-6500818-B1 Naphthalenecarboxamides as tachykinin receptor antagonists ASTRAZENECA AB (SE) 2002-12-31 US disclosed
EP-1119355-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020003-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed