SCHEMBL7671072

SCHEMBL7671072

CON(C(=O)C=O)c1ccccc1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
SLC6A2 P23975 10/20 0.41
SLC6A4 P31645 10/20 0.41
HTR1A P08908 9/20 0.41
SLC6A3 Q01959 8/20 0.41
HTR6 P50406 1/20 0.37

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
Hydrochloric Acid SCHEMBL6604954 0.99 HTR2C (0.48) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL6606751 0.81 MEN1 (0.44)
SCHEMBL15818392 0.71 HTR2C (0.59) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL7666084 0.70 HTR2C (0.61) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4431279 0.68 HTR2C (0.55) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL5729720 0.67 HTR2C (0.56) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL30493303 0.66 HTR2C (0.72) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7676995 0.66 HTR2C (0.53) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL27569963 0.66 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7670262 0.65 HTR2C (0.56) HTR2CSLC6A2SLC6A4HTR1ASLC6A3

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