SCHEMBL31258280

SCHEMBL31258280

O=C[C@@H]1COc2ccc(F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.39
CYP19A1 P11511 2/20 0.38
MALT1 Q9UDY8 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
CA2 P00918 1/20 0.35
RIPK1 Q13546 1/20 0.35
AKR1B1 P15121 1/20 0.35
DRD3 P35462 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL31257959 1.00 ROCK2 (0.39) ROCK2CYP19A1MALT1TRPV1CA2
SCHEMBL24131486 1.00 ROCK2 (0.39) ROCK2CYP19A1MALT1TRPV1CA2
SCHEMBL6377640 0.81 ROCK2 (0.39) ROCK2CYP19A1CA2RIPK1DRD3
SCHEMBL31258118 0.81 ROCK2 (0.39) ROCK2CYP19A1CA2RIPK1DRD3
SCHEMBL27526641 0.81 DRD3 (0.49) DRD3
SCHEMBL27885522 0.81 MALT1 (0.38) CYP19A1MALT1CA2DRD3HTR7
SCHEMBL31258122 0.77 MTNR1A (0.56) ROCK2CYP19A1
SCHEMBL31258111 0.77 MTNR1A (0.56) ROCK2CYP19A1
SCHEMBL833089 0.76 NISCH (0.42)
Hydrochloric Acid SCHEMBL31258028 0.76 MTNR1A (0.55) ROCK2

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-4698529-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2026-02-25 EP disclosed
WO-2024220173-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2024-10-24 WO disclosed