Bicarbonate

SCHEMBL5209560

CCN(CC1CCCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(CC)n1)CCCC2.Cl.O=C(O)O

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

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 6)

	gene	UniProt	supporting neighbours	confidence
▸	CETP	P11597	18/20	0.35

▸	TACR1	P25103	1/20	0.34

▸	MEN1	O00255	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
Bicarbonate SCHEMBL5181771	0.98	CETP (0.35)	CETPTACR1MEN1ALDH1A1POLB
Bicarbonate SCHEMBL5211983	0.96	CETP (0.39)	CETPTACR1
Bicarbonate SCHEMBL5180961	0.93	CETP (0.39)	CETPTACR1
SCHEMBL1901438	0.93	CETP (0.33)	CETP
Hydrochloric Acid SCHEMBL1899803	0.93	CETP (0.40)	CETP
SCHEMBL4825039	0.92	CETP (0.40)	CETP
Bicarbonate SCHEMBL5211571	0.92	CETP (0.39)	CETP
Hydrochloric Acid SCHEMBL1906164	0.91	CETP (0.40)	CETP
SCHEMBL4831102	0.91	CETP (0.40)	CETP
Bicarbonate SCHEMBL5180403	0.90	CETP (0.39)	CETP

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1533292-B1	DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF	JAPAN TOBACCO INC (JP)	2007-02-14	—	—	EP	claimed