Benzodiazepine

Benzodiazepine

SCHEMBL29040975

C1=Cc2ccccc2NN=C1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Benzodiazepine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.30
P2RX4 Q99571 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
Benzodiazepine SCHEMBL10694670 0.89 MAPT (0.38) GAAMAPTKDM4EMAPK1P2RX4
Benzodiazepine SCHEMBL11469198 0.87 MAPT (0.36) GAAMAPTP2RX4
Glucuronic Acid SCHEMBL29219575 0.86 CYP1A2 (0.31)
Benzodiazepine SCHEMBL29151800 0.86 MAPT (0.35) GAAMAPTP2RX4
Benzodiazepine SCHEMBL14740757 0.86 MAPT (0.35) GAAMAPTLMNAMAPK1TSHR
Benzodiazepine SCHEMBL27880113 0.85 P2RX4 (0.34) GAAMAPTP2RX4
Benzodiazepine SCHEMBL4971764 0.84 MAPT (0.36) GAAMAPTP2RX4
Benzodiazepine SCHEMBL1574261 0.84 MAPT (0.36) GAAMAPTLMNAMAPK1TSHR
Benzodiazepine SCHEMBL27786695 0.84 MAPT (0.36) GAAMAPTP2RX4
Benzodiazepine SCHEMBL28436814 0.84 GAA (0.41) GAAMAPT

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
CN-116745293-A Salts and crystals 金奥克斯治疗有限公司 2023-09-12 CN disclosed
CN-116507327-A Chewable formulations 礼蓝动物保健有限公司 2023-07-28 CN disclosed