SCHEMBL16097182

SCHEMBL16097182

COc1ccccc1CCN=Cc1ncncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
ABCB1 P08183 4/20 0.43
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
TSHR P16473 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 3/20 0.41
USP2 O75604 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
SHBG P04278 1/20 0.40
BCHE P06276 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AOC3 Q16853 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL16099269 0.89 TAAR1 (0.46) TAAR1ABCB1SHBGBCHESIGMAR1
SCHEMBL17499491 0.86 ABCB1 (0.33) ABCB1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL16098089 0.86 GRIN1 (0.43) TAAR1ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL16098090 0.86 GRIN1 (0.43) TAAR1ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL16095803 0.85 TAAR1 (0.43) TAAR1ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL16098719 0.83 TAAR1 (0.41) TAAR1ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL16097740 0.81 TAAR1 (0.44) TAAR1ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL16096003 0.79 TAAR1 (0.45) TAAR1ABCB1ALDH1A1LMNASHBG
SCHEMBL16097755 0.78 KDM4E (0.44) TAAR1ABCB1ALDH1A1SHBGSIGMAR1
SCHEMBL16095532 0.77 MEN1 (0.48) TAAR1ABCB1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed