Trifluoroacetic Acid

SCHEMBL8716938

CC(C)(N)CC(=O)NC1CCc2c(ccc3ccccc23)N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GHSR	Q92847	4/20	0.57

▸	AGTR1	P30556	2/20	0.57

▸	XIAP	P98170	8/20	0.35

▸	PSEN1	P49768	1/20	0.33

▸	PSEN2	P49810	1/20	0.33

▸	KCNH2	Q12809	1/20	0.33

▸	APH1B	Q8WW43	1/20	0.33

▸	NCSTN	Q92542	1/20	0.33

▸	APH1A	Q96BI3	1/20	0.33

▸	PSENEN	Q9NZ42	1/20	0.33

▸	F2	P00734	1/20	0.33

▸	F10	P00742	1/20	0.33

▸	PRSS1	P07477	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
SCHEMBL14977965	0.96	GHSR (0.61)	GHSRAGTR1XIAP
SCHEMBL8523099	0.96	GHSR (0.61)	GHSRAGTR1XIAP
SCHEMBL8717060	0.90	GHSR (0.54)	GHSRAGTR1XIAP
L-158432 SCHEMBL9023941	0.88	GHSR (0.71)	GHSRAGTR1XIAP
SCHEMBL9025202	0.86	GHSR (0.62)	GHSRAGTR1XIAP
SCHEMBL9024318	0.86	GHSR (0.62)	GHSRAGTR1XIAP
Trifluoroacetic Acid SCHEMBL9694030	0.85	GHSR (0.61)	GHSRAGTR1XIAP
Trifluoroacetic Acid SCHEMBL9693292	0.84	GHSR (0.55)	GHSRAGTR1XIAPKCNH2F2
L-158432 SCHEMBL9023762	0.84	GHSR (0.76)	GHSRAGTR1XIAP
L-158432 SCHEMBL7417293	0.84	GHSR (0.76)	GHSRAGTR1XIAP

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
US-5817654-A	STIMULATE GROWTH HORMONES	NOVO NORDISK A/S (DK)	1998-10-06	—	—	US	disclosed