SCHEMBL7568482

SCHEMBL7568482

C1=C(n2ccc3ccncc32)CC2CCCN2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
CYP19A1 P11511 3/20 0.40
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
KDM2B Q8NHM5 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
SCHEMBL30908843 0.82 HTR6 (0.44)
SCHEMBL30908850 0.79 HTR6 (0.41)
Hydrochloric Acid SCHEMBL30909074 0.78 HTR6 (0.40)
SCHEMBL30908984 0.74 HTR6 (0.40) MAPTCDK2KDM2B
SCHEMBL7570882 0.71 OPRM1 (0.39) MAPTCYP19A1KDM2B
SCHEMBL7569682 0.63 HRH3 (0.40) CDC7CDK2KDM2B
SCHEMBL6741126 0.62 CYP19A1 (0.74) MAPTCYP19A1CDC7CDK2
SCHEMBL2063978 0.62 HTR2A (0.37) CDK2
SCHEMBL30775500 0.60 MAPT (0.63) MAPTCYP19A1CDC7CDK2
SCHEMBL1150379 0.60 CYP19A1 (0.70) MAPTCYP19A1CDC7CDK2

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-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP claimed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO claimed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed