SCHEMBL5203595

SCHEMBL5203595

c1ccc(Cc2ccccc2CNC2CN3CCC2CC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRNA7 P36544 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL3932594 0.85 GAA (0.70) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL4962589 0.80 GAA (0.68) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL5802421 0.77 GAA (0.61) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL6135838 0.77 GAA (0.61) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL8252682 0.77 GAA (0.68) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL5127058 0.77 GAA (0.64) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL7955416 0.77 GAA (0.64) GAAMEN1KMT2A
SCHEMBL7441926 0.76 CHRNA7 (0.54) CHRNA7
SCHEMBL7448345 0.76 CHRNA7 (0.54) CHRNA7
SCHEMBL4958840 0.72 MEN1 (0.68) GAASMN1; SMN2MEN1KMT2ACHRNA7

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-1299100-B1 METHOD OF TREATING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIV ROCHESTER (US) 2007-07-25 EP disclosed
EP-1299100-A4 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIV ROCHESTER (US) 2005-01-12 EP disclosed
US-20030236237-A1 Method of treating symptoms of hormonal variation, including hot flashes, using tachykinin receptor antagonist GUTTUSO THOMAS J (US) 2003-12-25 US disclosed
EP-1299100-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST THE UNIVERSITY OF ROCHESTER (US) 2003-04-09 EP disclosed
US-20020016283-A1 Method of treating symptoms of hormonal variation, including hot flashes, using tachykinin receptor antagonist UNIVERSITY OF ROCHESTER 2002-02-07 US disclosed
WO-2001095904-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIVERSITY OF ROCHESTER (US) 2001-12-20 WO disclosed