SCHEMBL29619210

SCHEMBL29619210

CC(=N)NCCOc1ccc(NC(=O)C2CC2)cc1-c1c(C)noc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CREBBP Q92793 1/20 0.38
PDE5A O76074 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 2/20 0.37
MAPK14 Q16539 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37

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
SCHEMBL31677972 0.88 HTR2A (0.42) MAPTSMN1; SMN2HTR2APDE5APOLB
SCHEMBL29619091 0.87 GABRA5 (0.46) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619012 0.86 GABRA5 (0.41) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619109 0.86 MAPT (0.44) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619040 0.83 HTR2A (0.46) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619009 0.82 GABRA5 (0.41) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619176 0.82 PDE5A (0.41) GABRA5MAPTLMNASMN1; SMN2HTR2A
SCHEMBL29619051 0.82 HTR2A (0.51) HTR2A
SCHEMBL29619101 0.82 HTR2A (0.49) HTR2ABRD4BRD2BRD3
SCHEMBL24398567 0.81 POLB (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A

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-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO disclosed