SCHEMBL2372931

SCHEMBL2372931

C[CH]CCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
GPR84 Q9NQS5 1/20 0.41
P2RX7 Q99572 1/20 0.40
DAO P14920 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
CYP2A13 Q16696 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
SCHEMBL7370538 0.85 TAAR1 (0.50) TAAR1GPR84P2RX7DAOCA12
SCHEMBL9010966 0.83 TAAR1 (0.57) TAAR1GPR84P2RX7DAOCA12
SCHEMBL1876703 0.83 TAAR1 (0.57) TAAR1GPR84P2RX7DAOCA12
SCHEMBL30035347 0.83 TAAR1 (0.57) TAAR1GPR84P2RX7DAOCA12
SCHEMBL1876701 0.83 TAAR1 (0.57) TAAR1GPR84P2RX7DAOCA12
SCHEMBL16440133 0.80 TAAR1 (0.54) TAAR1GPR84P2RX7DAOCA12
SCHEMBL67347 0.80 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1
SCHEMBL1240981 0.80 TAAR1 (0.54) TAAR1GPR84P2RX7DAOCA12
SCHEMBL1611530 0.80 TAAR1 (0.54) TAAR1GPR84P2RX7DAOCA12
SCHEMBL6082977 0.80 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3607002-A1 COLORANT MIXTURES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2020-02-12 EP disclosed
WO-2018184770-A1 COLORANT MIXTURES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2018-10-11 WO disclosed
EP-2547665-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-23 EP disclosed
WO-2011113756-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-09-22 WO disclosed
CN-1119337-C Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 2003-08-27 CN disclosed
CN-1239957-A Substituting 2-amino-4-alkylamino-1,3,5-triazine as herbicide BAYER AG (DE) 1999-12-29 CN disclosed
CN-1239955-A Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 1999-12-29 CN disclosed