SCHEMBL31713005

SCHEMBL31713005

c1ccc2c(c1)CNNOO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.44
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
PNMT P11086 1/20 0.30
CD44 P16070 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21766748 0.78 OXTR (0.47) OXTRGAANPSR1MAOBMAOA
SCHEMBL6690296 0.78 OXTR (0.47) OXTRGAANPSR1MAOBMAOA
SCHEMBL31712939 0.71 OXTR (0.44) OXTRGAANPSR1MAOBMAOA
SCHEMBL31712975 0.69
SCHEMBL4503860 0.68 OXTR (0.67) OXTRGAANPSR1MAOBMAOA
SCHEMBL31712999 0.67 KDM4E (0.41) GAA
SCHEMBL29374426 0.66 PNMT (0.50) MAOBPNMTCD44
SCHEMBL214465 0.66 PNMT (0.50) MAOBPNMTCD44
SCHEMBL31712949 0.65 OXTR (0.47) OXTRGAANPSR1MAOBMAOA
SCHEMBL7606738 0.64 MAOA (0.70) OXTRGAANPSR1MAOBMAOA

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-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US claimed
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US disclosed