Bicarbonate

Bicarbonate

SCHEMBL3149384

O=C(O)O.O=C([C@@H](Cc1ccc(Cl)cc1)NC1CCCCC1)N1CCC(Cn2cncn2)(C2CCCCC2)CC1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.76
MC3R P41968 4/20 0.76
MC1R Q01726 4/20 0.76
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MC5R P33032 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL3143486 0.98 MC4R (0.78) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3159794 0.94 MC4R (0.71) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3156514 0.94 MC4R (0.71) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3148314 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3148321 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3152961 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3149435 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3152966 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5476125 0.94 MC4R (0.73) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3156471 0.94 MC4R (0.78) MC4RMC3RMC1RALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP claimed