SCHEMBL28215970

SCHEMBL28215970

c1ccc(CCNC2CCNC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.57
TAAR1 Q96RJ0 1/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SOS1 Q07889 1/20 0.50
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL30638147 1.00 GRIN2B (0.57) GRIN2BTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14813680 0.90 TAAR1 (0.57) GRIN2BTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10496394 0.90 TAAR1 (0.57) GRIN2BTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7317273 0.90 GRIN2B (0.65) GRIN2BTAAR1SOS1OPRM1OPRL1
SCHEMBL20445923 0.84 KCNH2 (0.43) GRIN2BTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL605459 0.83 SLC6A2 (0.63) GRIN2BSLC6A2SLC6A4SLC6A3SOS1
SCHEMBL239923 0.83 SLC6A2 (0.63) GRIN2BSLC6A2SLC6A4SLC6A3SOS1
SCHEMBL4766363 0.83 SLC6A2 (0.63) GRIN2BSLC6A2SLC6A4SLC6A3SOS1
SCHEMBL18994881 0.82 MAOA (0.42) GRIN2BTAAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL697480 0.81 SLC6A2 (0.61) GRIN2BSLC6A2SLC6A4SLC6A3SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305029-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-01-17 EP claimed
WO-2022189392-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-09-15 WO claimed
EP-4305029-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-01-17 EP disclosed
WO-2022189392-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-09-15 WO disclosed
CN-109526219-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-03-26 CN disclosed
CN-109153671-A There is the active oxinane of multi-mode and thiapyran derivative for pain 埃斯蒂文制药股份有限公司 2019-01-04 CN disclosed
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
CN-107922384-A Amide derivatives having multimodal activity on pain 埃斯蒂文博士实验室股份有限公司 2018-04-17 CN disclosed