Bicarbonate

Bicarbonate

SCHEMBL6219322

CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(Cl)cc2)CC1)c1ccccc1.O=C(O)O

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 2/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MTR Q99707 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ DRD4 P21917 4/20 0.46
▸ CCR3 P51677 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 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
Bicarbonate SCHEMBL6220685 0.92 MTTP (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
Bicarbonate SCHEMBL7570288 0.91 SLC6A12 (0.49) ADRA1ADRD4CCR3MEN1KMT2A
Bicarbonate SCHEMBL6219363 0.90 MTTP (0.47) MTTPCHRM2ADRA2AADORA3CHRM1
Bicarbonate SCHEMBL6218155 0.90 MTTP (0.60) MTTPCHRM2ADRA2AADORA3CHRM1
Bicarbonate SCHEMBL6217672 0.89 POLB (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6219319 0.89 MTTP (0.47) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7233534 0.86 MTTP (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241197 0.86 KCNA3 (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6219359 0.85 MTTP (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7235760 0.84 HTR7 (0.45) MTTPCHRM2ADRA2AADORA3CHRM1

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-1202969-B1 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-09 — — EP disclosed
Send feedback