Bicarbonate

Bicarbonate

SCHEMBL7569224

Cc1ccc(-c2ccccc2)c(C(=O)NC2CCN(CCCC(C)(C)c3ccccc3)CC2)c1.O=C(O)O

nearest known ligand 0.45

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
▸ HTR7 P34969 2/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ DRD4 P21917 5/20 0.43
▸ POLB P06746 2/20 0.42
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MTTP P55157 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ OPRM1 P35372 1/20 0.42

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 SCHEMBL7570288 0.91 SLC6A12 (0.49) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL7565338 0.90 HTR7 (0.43) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL6220685 0.90 MTTP (0.49) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL7565748 0.89 POLB (0.50) HTR7CCR3DRD4POLBMAOB
SCHEMBL7569221 0.89 KCNA3 (0.42) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL7568842 0.85 CCR3 (0.48) HTR7CCR3ADRA1AADRA1DADRA1B
SCHEMBL7565332 0.85 HTR7 (0.42) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL6219322 0.84 MTTP (0.49) HTR7CCR3ADRA1ADRD4POLB
Bicarbonate SCHEMBL6218155 0.83 MTTP (0.60) HTR7CCR3ADRA1AADRA1DADRA1B
Bicarbonate SCHEMBL6217672 0.82 POLB (0.49) HTR7CCR3ADRA1ADRD4POLB

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
EP-1202969-A2 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES Boehringer Ingelheim Pharma KG (DE) 2002-05-08 — — EP disclosed
WO-2001005762-A2 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-25 — — WO disclosed
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