SCHEMBL17499786

SCHEMBL17499786

COc1ccccc1CCN=Cc1cn(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
TAAR1 Q96RJ0 2/20 0.40
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ABCB1 P08183 1/20 0.37
BCL2L2 Q92843 1/20 0.37
AOC3 Q16853 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 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
SCHEMBL17499343 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL17499803 0.87 GRIN1 (0.42) SIGMAR1KCNH2HRH3TAAR1KDM4A
SCHEMBL17499806 0.87 GRIN1 (0.42) SIGMAR1KCNH2HRH3TAAR1KDM4A
SCHEMBL16097755 0.79 KDM4E (0.44) SIGMAR1KCNH2TAAR1ABCB1AOC3
SCHEMBL28040294 0.79 SIGMAR1 (0.43) SIGMAR1KCNH2HRH3TAAR1AOC3
SCHEMBL17499453 0.77 SIGMAR1 (0.42) SIGMAR1KCNH2HRH3TAAR1KDM4A
SCHEMBL16098719 0.76 TAAR1 (0.41) SIGMAR1KCNH2HRH3TAAR1ABCB1
SCHEMBL16095532 0.76 MEN1 (0.48) SIGMAR1KCNH2TAAR1ABCB1AOC3
SCHEMBL16097676 0.76 TAAR1 (0.41) SIGMAR1KCNH2HRH3TAAR1ABCB1
SCHEMBL16104944 0.76 TAAR1 (0.41) SIGMAR1KCNH2HRH3TAAR1ABCB1

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 4 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
CN-105209268-B Heterocyclic imine functionalized polymers 株式会社普利司通 2018-05-04 CN 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