SCHEMBL7674231

SCHEMBL7674231

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RBP4 P02753 6/20 0.33
TRPV1 Q8NER1 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CNR2 P34972 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
DRD2 P14416 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
SCHEMBL6606751 0.85 MEN1 (0.44) MEN1KMT2ARBP4TRPV1CHRM4
SCHEMBL6608348 0.84 GPR119 (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL7671072 0.81 HTR2C (0.47)
Hydrochloric Acid SCHEMBL6604954 0.80 HTR2C (0.48)
SCHEMBL17376277 0.74 GRIN2D (0.40) HRH3CHRM2CHRM1DRD2
SCHEMBL7674233 0.68 RBP4 (0.43) MEN1KMT2ARBP4TRPV1ALDH1A1
SCHEMBL7812713 0.65 GRIN2D (0.42) MEN1KMT2ARBP4HRH3CHRM2
SCHEMBL6608621 0.64 GPR119 (0.53) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL24775520 0.63 DRD2 (0.39) MEN1KMT2ARBP4CHRM2CHRM1
SCHEMBL4703548 0.63 RBP4 (0.58) RBP4

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
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed