SCHEMBL30173174

SCHEMBL30173174

Oc1ccc2c(c1)Oc1ccc(Cl)cc1C(N1CCNCC1)=N2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.75
HTR2A P28223 4/20 0.75
HRH1 P35367 4/20 0.75
HTR2C P28335 4/20 0.75
HTR1A P08908 3/20 0.75
ADRA2A P08913 3/20 0.75
HRH2 P25021 3/20 0.75
CHRM2 P08172 3/20 0.75
CHRM4 P08173 3/20 0.75
CHRM5 P08912 3/20 0.75
CHRM1 P11229 3/20 0.75
CHRM3 P20309 3/20 0.75
DRD1 P21728 3/20 0.75
DRD4 P21917 3/20 0.75
KCNH2 Q12809 3/20 0.75
CYP1A2 P05177 3/20 0.75
CYP3A4 P08684 3/20 0.75
CYP2D6 P10635 3/20 0.75
ADRB2 P07550 2/20 0.75
ADORA3 P0DMS8 2/20 0.75

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
SCHEMBL142222 1.00 DRD2 (0.75) DRD2HTR2AHRH1HTR2CHTR1A
SCHEMBL2738764 0.93 DRD2 (0.74) DRD2HTR2AHRH1HTR2CHTR1A
SCHEMBL3412948 0.86 HRH1 (0.71) DRD2HTR2AHRH1HTR2CHTR1A
SCHEMBL11882173 0.86 HRH4 (0.75) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL29370074 0.86 DRD2 (1.00) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL29482386 0.86 DRD2 (1.00) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL33950 0.86 DRD2 (1.00) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL29354942 0.86 DRD2 (1.00) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL5498936 0.86 DRD2 (1.00) DRD2HTR2AHRH1HTR2CHTR1A
Amoxapine SCHEMBL29180215 0.85 DRD2 (0.98) DRD2HTR2AHRH1HTR2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4437342-A1 LRRC4 FAMILY MIMIC MOLECULES AND DIAGNOSTIC USES THEREOF Neuracle Science Co., Ltd. (KR) 2024-10-02 EP disclosed
EP-4367090-A1 INHIBITORS AND USES THEREOF Neuracle Science Co., Ltd. (KR) 2024-05-15 EP disclosed
EP-4367128-A1 POLYPEPTIDE INHIBITORS AND USES THEREOF Neuracle Science Co., Ltd. (KR) 2024-05-15 EP disclosed
WO-2023095001-A1 LRRC4 FAMILY MIMIC MOLECULES AND DIAGNOSTIC USES THEREOF NEURACLE SCIENCE CO., LTD. (KR) 2023-06-01 WO disclosed
WO-2023281476-A1 INHIBITORS AND USES THEREOF NEURACLE SCIENCE CO., LTD. (KR) 2023-01-12 WO disclosed
WO-2023281475-A1 POLYPEPTIDE INHIBITORS AND USES THEREOF NEURACLE SCIENCE CO., LTD. (KR) 2023-01-12 WO disclosed