Benzoic Acid

SCHEMBL6446018

CNC[C@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1.O=C(O)c1ccccc1

nearest known ligand 0.86

Known targets — ChEMBL curated mechanism

CACNA1C CACNA1D CACNA1F CACNA1S DPP4 HTR1B HTR1D

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

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	P2RX7	Q99572	17/20	0.86

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
SCHEMBL5553077	0.93	P2RX7 (1.00)	P2RX7
SCHEMBL5549870	0.93	P2RX7 (1.00)	P2RX7
Hydrochloric Acid SCHEMBL5552964	0.92	P2RX7 (0.98)	P2RX7
SCHEMBL6446022	0.86	P2RX7 (0.71)	P2RX7
SCHEMBL5555101	0.83	P2RX7 (0.82)	P2RX7
SCHEMBL5553043	0.83	P2RX7 (0.82)	P2RX7
SCHEMBL5549877	0.83	P2RX7 (0.82)	P2RX7
SCHEMBL5553070	0.83	P2RX7 (0.82)	P2RX7
SCHEMBL5549866	0.83	P2RX7 (0.82)	P2RX7
Hydrochloric Acid SCHEMBL5549856	0.83	P2RX7 (0.80)	P2RX7

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1599432-A1	ADAMANTANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM	AstraZeneca AB (SE)	2005-11-30	—	—	EP	claimed
WO-2004074224-A1	ADAMANTANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM	ASTRAZENECA AB (SE)	2004-09-02	—	—	WO	claimed