SCHEMBL723952

SCHEMBL723952

O=C(O)N1CCc2ncc(Br)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.49
GRM5 P41594 7/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGS1 P23219 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
SCHEMBL28511316 0.88 ABHD6 (0.49) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL21591731 0.86 ABHD6 (0.59) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL10312992 0.84 HPGD (0.57) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL21465759 0.83 HSP90AB1 (0.40) HPGDHSP90AA1PTGS1
SCHEMBL25430227 0.83 MAPK1 (0.51) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL15309369 0.83 ABHD6 (0.48) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL16935158 0.83 ABHD6 (0.57) ABHD6GRM5HPGDHTTSMN1; SMN2
SCHEMBL693689 0.82 HSP90AB1 (0.39) GRM5HPGDHSP90AA1CCR2KCNH2
SCHEMBL12004429 0.82 PTGS1 (0.40) HSP90AA1CCR2KCNH2PTGS1
SCHEMBL15309449 0.81 ABHD6 (0.49) ABHD6HPGDHTTSMN1; SMN2HSP90AA1

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
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN disclosed
CN-114667287-A Adenosine A2A receptor antagonists and uses thereof 泰昂治疗公司 2022-06-24 CN disclosed
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 EP disclosed
CN-111825656-A Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2020-10-27 CN disclosed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 WO disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
WO-2012027564-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed