SCHEMBL31258118

SCHEMBL31258118

O=CC1COc2ccc(Cl)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOB P27338 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD3 P35462 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6377640 1.00 ROCK2 (0.39) ROCK2POLBMAPTCYP19A1MAOB
SCHEMBL27526641 0.84 DRD3 (0.49) MAPTMAOBDRD3
SCHEMBL27885522 0.81 MALT1 (0.38) MAPTCYP19A1DRD3CA2LMNA
SCHEMBL31258280 0.81 ROCK2 (0.39) ROCK2CYP19A1DRD3CA2RIPK1
SCHEMBL31257959 0.81 ROCK2 (0.39) ROCK2CYP19A1DRD3CA2RIPK1
SCHEMBL24131486 0.81 ROCK2 (0.39) ROCK2CYP19A1DRD3CA2RIPK1
SCHEMBL31258122 0.77 MTNR1A (0.56) ROCK2POLBMAPTCYP19A1LMNA
SCHEMBL31258111 0.77 MTNR1A (0.56) ROCK2POLBMAPTCYP19A1LMNA
SCHEMBL833089 0.76 NISCH (0.42) MAOB
Hydrochloric Acid SCHEMBL31258028 0.76 MTNR1A (0.55) ROCK2POLBMAPTLMNA

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 4 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 claimed
WO-2024220173-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2024-10-24 WO claimed
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