SCHEMBL30900545

SCHEMBL30900545

O=C(OCc1ccccc1)N1CC2CC2(c2cnn(C3CCCCO3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PREP P48147 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4B Q07343 1/20 0.36
GRIN2B Q13224 5/20 0.36
RORC P51449 2/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 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
SCHEMBL30900544 0.84 MCL1 (0.33)
SCHEMBL20074229 0.76 KMT2A (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30900540 0.75 MEN1 (0.41) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26128128 0.70 SMN1; SMN2 (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30900537 0.68 MEN1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30900536 0.68 MEN1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28449945 0.67 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28449944 0.67 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30900533 0.67 EIF2AK4 (0.42)
SCHEMBL34472414 0.67 CYP1A2 (0.46) PREPCYP3A4

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-4622973-A1 INHIBITORS OF ROCK2 Graviton Bioscience BV (NL) 2025-10-01 EP disclosed
WO-2024110851-A1 INHIBITORS OF ROCK2 GRAVITON BIOSCIENCE BV (NL) 2024-05-30 WO disclosed