SCHEMBL6605558

SCHEMBL6605558

CN(C)c1ccccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RBP4 P02753 2/20 0.46
NTSR1 P30989 5/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41
KCNH2 Q12809 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
BACE1 P56817 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
SCHEMBL6608621 0.81 GPR119 (0.53) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL27900121 0.80 TRPV1 (0.55) MEN1KMT2ARBP4ALDH1A1KDM4E
SCHEMBL6606751 0.78 MEN1 (0.44) MEN1KMT2ARBP4ALDH1A1KDM4E
SCHEMBL28942169 0.78 RBP4 (0.50) MEN1KMT2ARBP4HRH3ALDH1A1
SCHEMBL12554649 0.77 NTSR1 (0.41) NTSR1ALDH1A1TP53GAAMAPT
SCHEMBL4679488 0.77 MC4R (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2636181 0.76 RBP4 (0.49) MEN1KMT2ARBP4TP53
SCHEMBL4675402 0.76 RBP4 (0.52) MEN1KMT2ARBP4HRH3ALDH1A1
SCHEMBL21885656 0.76 BACE1 (0.52) MEN1KMT2ARBP4ALDH1A1KDM4E
SCHEMBL2636989 0.76 RBP4 (0.52) MEN1KMT2ARBP4BRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed