SCHEMBL31398596

SCHEMBL31398596

O=C1NCC2(CCN(C(=O)OCc3ccccc3)C2)Oc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
EPHX2 P34913 1/20 0.45
RORC P51449 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRK1 P41145 2/20 0.41
OPRM1 P35372 1/20 0.41
AVPR1A P37288 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL31398597 1.00 HSD11B1 (0.47) HSD11B1EPHX2RORCKMT2AOPRK1
SCHEMBL31398594 0.95 HSD11B1 (0.48) HSD11B1EPHX2RORCKMT2AOPRK1
SCHEMBL31398580 0.87 HSD11B1 (0.60) HSD11B1EPHX2RORCKMT2AHDAC3
SCHEMBL19281135 0.83 HSD11B1 (0.64) HSD11B1EPHX2KMT2AHDAC3HDAC4
SCHEMBL31398578 0.83 HSD11B1 (0.48) HSD11B1EPHX2RORCKMT2APTGDR2
SCHEMBL31398590 0.83 HSD11B1 (0.55) HSD11B1EPHX2RORCKMT2AHDAC3
SCHEMBL31398585 0.81 HSD11B1 (0.43) HSD11B1RORCKMT2AHDAC3HDAC4
SCHEMBL31398588 0.81 HSD11B1 (0.43) HSD11B1RORCKMT2AHDAC3HDAC4
SCHEMBL31398583 0.81 HSD11B1 (0.43) HSD11B1RORCKMT2AHDAC3HDAC4
SCHEMBL19030072 0.79 EPHX2 (0.49) HSD11B1EPHX2RORCKMT2APTGDR2

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-4731613-A1 SPIROCYCLIC PARP INHIBITORS AND METHODS OF USE Valo Health, Inc. (US) 2026-04-29 EP disclosed
WO-2024261710-A1 SPIROCYCLIC PARP INHIBITORS AND METHODS OF USE VALO HEALTH, INC. (US) 2024-12-26 WO disclosed