SCHEMBL30574142

SCHEMBL30574142

Fc1ccc2c(c1)COC21CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.35
OXTR P30559 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL30574141 0.82 AVPR1A (0.41) AVPR1AOXTRCA1CA2PDE3A
SCHEMBL24203802 0.81 ATM (0.40) AVPR1AOXTR
SCHEMBL24203658 0.81 TDP2 (0.38)
SCHEMBL737193 0.79 DPP4 (0.42) AVPR1AOXTR
SCHEMBL3400246 0.79 AVPR1A (0.42) AVPR1AOXTRCA1CA2PDE3A
SCHEMBL24204166 0.78 AVPR1A (0.44) AVPR1AKMT2AOXTR
SCHEMBL11827622 0.78 AVPR1A (0.46) AVPR1A
SCHEMBL6350679 0.77 SIGMAR1 (0.47) AVPR1A
SCHEMBL29079064 0.74 AVPR1A (0.39) AVPR1AOXTR
SCHEMBL12964403 0.74 AVPR1A (0.43) AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed