Lithium

Lithium

SCHEMBL8048874

CC(=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(=O)O.[Li]

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.74
DHODH Q02127 3/20 0.74
TRPA1 O75762 4/20 0.61
TAS2R14 Q9NYV8 5/20 0.48
TRPM2 O94759 1/20 0.47
GRIK1 P39086 1/20 0.47
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
MAOB P27338 1/20 0.43
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 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
SCHEMBL8048873 0.99 TRPM8 (0.76) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL29966740 0.99 TRPM8 (0.76) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL8048868 0.99 TRPM8 (0.76) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL8060371 0.98 TRPM8 (0.74) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL8060378 0.98 TRPM8 (0.74) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL8058714 0.98 TRPM8 (0.74) TRPM8DHODHTRPA1TAS2R14TRPM2
SCHEMBL21470092 0.88 TRPM8 (0.78) TRPM8DHODHTRPA1TRPM2
Lithium Ion SCHEMBL8048870 0.87 TRPM8 (0.57) TRPM8DHODHTRPA1TRPM2MAOB
SCHEMBL8060374 0.87 TRPM8 (0.57) TRPM8DHODHTRPA1TRPM2MAOB
SCHEMBL8060484 0.86 DHODH (0.70) TRPM8DHODHTRPA1TAS2R14TRPM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US claimed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP claimed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US claimed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO claimed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed