SCHEMBL30852680

SCHEMBL30852680

CN(C)CCOc1ccc2c(c1)N(C=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNA1B Q00975 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
LCK P06239 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14625869 0.90 HRH3 (0.43) HRH3MGLLABHD6KDM4EALDH1A1
SCHEMBL17324776 0.81 HRH3 (0.47) ROCK1HRH3CHRNB2CHRNA4
SCHEMBL20250850 0.79 HRH3 (0.56) ROCK1HRH3MGLLABHD6KDM4E
SCHEMBL8614407 0.79 ROCK1 (0.54) ROCK1HRH3MGLLABHD6KDM4E
SCHEMBL17321532 0.78 HRH3 (0.44) ROCK1HRH3MGLLABHD6KDM4E
SCHEMBL14625867 0.72 NPY2R (0.42) ALDH1A1
SCHEMBL23448761 0.72 HTR1B (0.43) HRH3KDM4EALDH1A1
SCHEMBL14590673 0.71 NOTUM (0.64) HRH3KDM4EALDH1A1KMT2A
SCHEMBL6141581 0.71 HTR1A (0.44) HRH3MGLLABHD6KDM4EALDH1A1
SCHEMBL5905888 0.70 HRH3 (0.64) HRH3KDM4ECHRNB2CHRNA4

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-4598586-A1 DRUG LINKERS AND ANTIBODY CONJUGATES THEREOF Ambrx, Inc. (US) 2025-08-13 EP disclosed
WO-2024077277-A1 DRUG LINKERS AND ANTIBODY CONJUGATES THEREOF AMBRX, INC. (US) 2024-04-11 WO disclosed