SCHEMBL8043274

SCHEMBL8043274

CCCC(N)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.42
TSHR P16473 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL9066639 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL28225058 0.84 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL28224391 0.84 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL1870654 0.84 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL11027935 0.82 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL10791168 0.81 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL13672306 0.80 TSHR (0.44) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL2640220 0.80 TSHR (0.44) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL10245222 0.78 TSHR (0.43) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL7850044 0.78 TSHR (0.43) SLC1A3SLC1A2SLC1A1CYP2D6MEN1

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
CN-119325378-A Cannabinoid receptor 1 antagonists/inverse agonists and uses thereof 柯巴斯医药有限公司 2025-01-17 CN disclosed
CN-111410663-B Preparation of double-target point synergistic compound and application of compound in field of diseases related to multiple myeloma 北京桦冠医药科技有限公司 2022-11-08 CN disclosed
CN-111410663-A Preparation of double-target point synergistic compound and application of compound in field of diseases related to multiple myeloma 北京桦冠医药科技有限公司 2020-07-14 CN disclosed
EP-1000041-A1 1,3-DIAZA- HETEROCYCLES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-05-17 EP disclosed
WO-1999005131-A1 1,3-DIAZA- HETEROCYCLES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-02-04 WO disclosed