SCHEMBL7688548

SCHEMBL7688548

C=CCN(c1ncncn1)c1cccs1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 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
SCHEMBL4664967 0.71 SLC6A2 (0.35) TRPM8
SCHEMBL8214845 0.68 ALDH1A1 (0.40)
SCHEMBL369673 0.67 CRHR1 (0.34)
SCHEMBL7034994 0.66 SLC6A2 (0.35) TRPM8
SCHEMBL11787506 0.65 KDM4E (0.33)
SCHEMBL7034990 0.65 SLC6A2 (0.34) TRPM8
SCHEMBL7958544 0.65 ADRA2A (0.32)
SCHEMBL4825084 0.64 KDM4E (0.32)
SCHEMBL8015667 0.63 MAPT (0.44)
SCHEMBL7598386 0.61 KDM4E (0.30)

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-6420313-B1 DEFOLIANTS, DESICCANTS; CONTROLLING WEEDS, SUCH AS MONOCOTYLEDONS AND DICOTYLEDONS IN CROP FIELDS; PRE- AND POST-EMERGENCE; CYCLIZATION AND ALKYLATION OF A BIGUANIDE AND AN ALKOXYCARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US claimed