SCHEMBL9873485

SCHEMBL9873485

CC=NN(c1nc(C)cc(C2CC2)n1)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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 0.88 MEN1 (0.32)
SCHEMBL9872253 0.86 ALDH1A1 (0.34)
SCHEMBL9873222 0.80
SCHEMBL9873238 0.80
SCHEMBL9874395 0.76
SCHEMBL11500818 0.73 MEN1 (0.41) CRHR1
SCHEMBL9045189 0.71 ALDH1A1 (0.33) HCRTR1HCRTR2ADORA2AADORA2B
SCHEMBL9044517 0.71 ADORA2A (0.30) ADORA2AADORA2B
SCHEMBL9043647 0.70 MAPT (0.32) HCRTR1HCRTR2ADORA2AADORA2B
SCHEMBL9044500 0.70 ADORA2A (0.30) ADORA2AADORA2B

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