SCHEMBL28567534

SCHEMBL28567534

N#Cc1ccc(OC2CC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.48
▸ MPO P05164 1/20 0.41
▸ HRH3 Q9Y5N1 6/20 0.41
▸ AR P10275 5/20 0.40
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL19641648 0.93 PGR (0.43) PGRMPOHRH3ARSLC6A2
SCHEMBL22557803 0.92 PGR (0.43) PGRMPOHRH3ARSLC6A2
SCHEMBL22557802 0.92 PGR (0.43) PGRMPOHRH3ARSLC6A2
SCHEMBL22565508 0.92 PGR (0.46) PGRMPOHRH3ARACACB
SCHEMBL21083953 0.92 HRH3 (0.43) PGRMPOHRH3ARFFAR4
SCHEMBL24298595 0.87 ACSL1 (0.46) PGRARFFAR4ACACBNPC1
SCHEMBL24299375 0.87 ACSL1 (0.46) PGRARFFAR4ACACBNPC1
SCHEMBL15634155 0.86 PGR (0.45) PGRMPOHRH3ARSLC6A2
SCHEMBL22717471 0.85 ALK (0.37) PGRMPOHRH3ARSLC6A2
SCHEMBL24266830 0.85 SLC6A2 (0.38) PGRMPOHRH3ARSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265352-B Preparation method of aryl cyclopropyl ether and derivatives thereof 杭州迈世腾药物科技有限公司 2021-06-04 — — CN claimed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 — — CN disclosed
CN-109265352-B Preparation method of aryl cyclopropyl ether and derivatives thereof 杭州迈世腾药物科技有限公司 2021-06-04 — — CN disclosed
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