SCHEMBL9871780

SCHEMBL9871780

CC=NN(Cc1ccc2ccccc2c1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.38
SLC6A4 P31645 16/20 0.38
SLC6A3 Q01959 14/20 0.38
ACHE P22303 1/20 0.35
KCNH2 Q12809 5/20 0.35
LSS P48449 1/20 0.35
PYCR1 P32322 1/20 0.33

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
SCHEMBL9871760 0.71 MEN1 (0.32)
SCHEMBL9873485 0.70 CRHR1 (0.31)
SCHEMBL9872253 0.70 ALDH1A1 (0.34)
SCHEMBL9045189 0.67 ALDH1A1 (0.33)
SCHEMBL9873238 0.66
SCHEMBL9873222 0.66
SCHEMBL9043647 0.65 MAPT (0.32)
SCHEMBL9044517 0.64 ADORA2A (0.30)
SCHEMBL8987728 0.63 POLB (0.38)
SCHEMBL9043112 0.63 ADORA2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed