SCHEMBL7896588

SCHEMBL7896588

CCCC(N)c1ccccc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 5/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ MC4R P32245 5/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ RAF1 P04049 1/20 0.37

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
SCHEMBL2339105 0.98 KEAP1 (0.46) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL5792889 0.98 KEAP1 (0.46) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL7897470 0.98 KEAP1 (0.46) KCNQ2KEAP1MC4RGAAMAPK1
Hydrochloric Acid SCHEMBL10638555 0.97 KEAP1 (0.45) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL5792763 0.89 KEAP1 (0.44) KCNQ2KEAP1MC4RGAAMAPK1
Hydrochloric Acid SCHEMBL17871814 0.88 KEAP1 (0.42) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL7900199 0.88 KEAP1 (0.42) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL5794047 0.87 LMNA (0.42) KCNQ2KEAP1MC4RGAAMAPK1
SCHEMBL7898880 0.85 GAA (0.53) MC4RGAAMEN1KMT2AALDH1A1
SCHEMBL19665213 0.84 KEAP1 (0.45) KCNQ2KEAP1MC4RGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 — — US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 — — US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 — — US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 — — US disclosed
EP-0147850-B1 PHENYLACETIC-ACID DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1989-06-14 — — EP disclosed
EP-0147850-A2 Phenylacetic-acid derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-10 — — EP disclosed
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