SCHEMBL10079259

SCHEMBL10079259

Bc1cc(CCNC(=C)N)cc(-c2cccc(-c3cc(Br)cc(CCNC(=N)N)c3)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13978409 0.94 NPC1 (0.32) TAAR1
SCHEMBL10287770 0.87 TAAR1 (0.36) TAAR1
SCHEMBL15138993 0.78 NOS1 (0.39)
SCHEMBL10079267 0.76 PTGES (0.32)
SCHEMBL880647 0.76 PTGES (0.32) TAAR1
SCHEMBL16169667 0.74 NQO2 (0.37)
SCHEMBL16169745 0.72 MTNR1A (0.37)
SCHEMBL14143642 0.70 TAAR1 (0.31) TAAR1
SCHEMBL21556969 0.70 TAAR1 (0.57) TAAR1
SCHEMBL15139083 0.70 F10 (0.47)

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
EP-2468711-A2 Facially amphiphilic polyaryl and polarylalkynyl polymers and oligomers and uses thereof The Trustees Of The University Of Pennsylvania (US) 2012-06-27 EP disclosed