SCHEMBL22565508

SCHEMBL22565508

C[C@H]1CC[C@H](Oc2ccc(C#N)c(Br)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ AR P10275 5/20 0.36
▸ ACACB O00763 1/20 0.36
▸ CHRM4 P08173 3/20 0.35

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
SCHEMBL28567534 0.92 PGR (0.48) PGRHRH3NPC1RAB9AMPO
SCHEMBL19641648 0.86 PGR (0.43) PGRHRH3MPOARACACB
SCHEMBL22557803 0.85 PGR (0.43) PGRHRH3KDM4EALDH1A1MPO
SCHEMBL22557802 0.85 PGR (0.43) PGRHRH3KDM4EALDH1A1MPO
SCHEMBL21083953 0.85 HRH3 (0.43) PGRHRH3MPOARACACB
SCHEMBL24267492 0.84 PGR (0.47) PGRHRH3MPOARACACB
SCHEMBL3184386 0.82 PGR (0.65) PGRAR
SCHEMBL3194248 0.82 PGR (0.65) PGRAR
SCHEMBL3199189 0.82 PGR (0.65) PGRAR
SCHEMBL24298595 0.81 ACSL1 (0.46) PGRNPC1RAB9AARACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 — — EP disclosed
WO-2020211822-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF 成都海创药业有限公司 2020-10-22 — — WO disclosed
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