SCHEMBL24782854

SCHEMBL24782854

CC1CC=C(c2ccc(CN)c(NCC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
BACE1 P56817 1/20 0.32
HDAC2 Q92769 2/20 0.32
TRPV1 Q8NER1 2/20 0.31
HDAC1 Q13547 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL23055612 0.80 NR1I2 (0.31) TRPV1
SCHEMBL23697930 0.68 HDAC6 (0.35) HRH3
SCHEMBL23055589 0.68 BRD4 (0.39)
SCHEMBL23639167 0.67 CCNT1 (0.31)
SCHEMBL11858021 0.65 HRH3 (0.43) HRH3
SCHEMBL18573832 0.64 LOXL2 (0.42)
SCHEMBL11197977 0.64 ESR2 (0.44) HRH3BACE1
SCHEMBL10932787 0.63 HSD17B10 (0.45) BACE1
SCHEMBL23697919 0.63 KDM4E (0.35)
SCHEMBL10931097 0.63 KMT2A (0.45)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed