SCHEMBL29437923

SCHEMBL29437923

CC(C)c1nccn1Cc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
KCNH2 Q12809 7/20 0.46
FPR2 P25090 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 2/20 0.37
GRM2 Q14416 1/20 0.37
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL23121313 1.00 CYP2D6 (0.48) CYP2D6TSHRCYP2C19HIF1AKCNH2
SCHEMBL30970238 0.84 CYP2D6 (0.63) CYP2D6TSHRCYP2C19HIF1AKCNH2
SCHEMBL29700592 0.82 KCNH2 (0.44) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL23120736 0.82 KCNH2 (0.44) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL30613519 0.81 CYP2D6 (0.46) CYP2D6TSHRCYP2C19HIF1AKCNH2
SCHEMBL26127203 0.81 CYP2D6 (0.46) CYP2D6TSHRCYP2C19HIF1AKCNH2
SCHEMBL25243253 0.80 KCNH2 (0.41) KCNH2FPR2AKR1B1
SCHEMBL23121185 0.80 KCNH2 (0.45) TSHRKCNH2AKR1B1HSP90B1TRAP1
SCHEMBL29437918 0.80 KCNH2 (0.45) TSHRKCNH2AKR1B1HSP90B1TRAP1
SCHEMBL31434507 0.79 TRAP1 (0.43) KCNH2AKR1B1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568682-A Novel compounds for the treatment of angiotensin II related diseases 维科尔药物公司 2023-08-08 CN disclosed
EP-4208460-A1 NOVEL COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ANGIOTENSIN II Vicore Pharma AB (SE) 2023-07-12 EP disclosed
EP-4031240-A1 NEW COMPOUNDS Vicore Pharma AB (SE) 2022-07-27 EP disclosed
CN-114786774-A Novel compounds 维科尔药物公司 2022-07-22 CN disclosed
WO-2022049372-A1 NOVEL COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ANGIOTENSIN II VICORE PHARMA AB (SE) 2022-03-10 WO disclosed