SCHEMBL11267030

SCHEMBL11267030

c1ccc(CC2N=c3ccccc3=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
NOS1 P29475 5/20 0.39
NOS2 P35228 5/20 0.39
NOS3 P29474 1/20 0.39
GBA1 P04062 1/20 0.38
CALM1 P0DP23 1/20 0.38
EPHX1 P07099 1/20 0.36

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
SCHEMBL10475464 0.78 CALM1 (0.39) TAAR1NOS1NOS2GBA1CALM1
SCHEMBL28849340 0.69 TAAR1 (0.35) TAAR1NOS1NOS2NOS3GBA1
SCHEMBL15724948 0.67 TAAR1 (0.34) TAAR1NOS1NOS2NOS3GBA1
SCHEMBL4357593 0.64 CALM1 (0.45) GBA1CALM1
SCHEMBL22470032 0.62 GBA1 (0.58) GBA1
SCHEMBL2001366 0.62 GBA1 (0.52) GBA1
SCHEMBL22483044 0.62 GBA1 (0.58) GBA1
SCHEMBL19809006 0.62 CALM1 (0.43) GBA1CALM1
SCHEMBL6432088 0.62 SLC6A2 (0.44) TAAR1GBA1CALM1
SCHEMBL2027845 0.62 GBA1 (0.71) GBA1

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-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed