SCHEMBL6606751

SCHEMBL6606751

CON(C(=O)C=O)c1ccccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RBP4 P02753 4/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.34
CREBBP Q92793 1/20 0.34
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL6608348 0.85 GPR119 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7674231 0.85 MEN1 (0.37) MEN1KMT2ARBP4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6604954 0.81 HTR2C (0.48)
SCHEMBL6605558 0.78 MEN1 (0.47) MEN1KMT2ARBP4ALDH1A1MAPT
SCHEMBL2637185 0.72 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL27223605 0.72 MEN1 (0.47) MEN1KMT2ARBP4ALDH1A1MAPT
SCHEMBL2101664 0.71 RBP4 (0.47) MEN1KMT2ARBP4ALDH1A1MAPT
SCHEMBL27900121 0.70 TRPV1 (0.55) MEN1KMT2ARBP4ALDH1A1TRPV1
SCHEMBL750673 0.70 RBP4 (0.55) MEN1KMT2ARBP4ALDH1A1MAPT
SCHEMBL4678772 0.70 KMT2A (0.36) MEN1KMT2ARBP4

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 2 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