SCHEMBL7657764

SCHEMBL7657764

COc1cccc(C(C#N)C2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.52
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM4 P08173 2/20 0.45
CHRM3 P20309 2/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAAA Q02083 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 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
SCHEMBL4246228 0.81 CHRM2 (0.60) SLC6A3ALDH1A1SLC6A2SLC6A4CHRM2
SCHEMBL7840990 0.80 SLC6A3 (0.56) SLC6A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4243548 0.77 SLC6A3 (0.56) SLC6A3
SCHEMBL26144985 0.77 ALDH1A1 (0.47) SLC6A3ALDH1A1MEN1MAPK1KMT2A
SCHEMBL7410719 0.77 SLC6A2 (0.53) SLC6A3ALDH1A1MEN1MAPK1KMT2A
SCHEMBL7656632 0.76 SLC6A2 (0.44) SLC6A3ALDH1A1MEN1MAPK1KMT2A
SCHEMBL7236494 0.76 SLC6A3 (0.57) SLC6A3MEN1KMT2ACHRM2CHRM1
SCHEMBL961019 0.76 SLC6A3 (0.57) SLC6A3MEN1KMT2ACHRM2CHRM1
SCHEMBL959762 0.74 SLC6A3 (0.58) SLC6A3MEN1KMT2ACHRM2CHRM1
SCHEMBL13124077 0.74 SLC6A3 (0.58) SLC6A3MEN1KMT2ACHRM2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed