SCHEMBL30310656

SCHEMBL30310656

COC(=O)[C@@H](N)Cc1c[nH]c2cccc(C)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
TACR1 P25103 2/20 0.48
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46
ADRB3 P13945 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
SCN9A Q15858 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41

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
SCHEMBL24113156 1.00 GPR84 (0.52) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL1196810 1.00 GPR84 (0.52) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL25244600 0.86 NR4A2 (0.53) GPR84TACR1MAPTMEN1KMT2A
SCHEMBL25288578 0.86 NR4A2 (0.53) GPR84TACR1MAPTMEN1KMT2A
SCHEMBL2013301 0.86 MTNR1A (0.58) TACR1MAPTMEN1KMT2AKDM4E
SCHEMBL24113154 0.85 GPR84 (0.56) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL109837 0.85 KMT2A (0.62) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL21055747 0.85 KMT2A (0.62) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL18028997 0.85 KMT2A (0.62) GPR84TACR1NR3C1NR3C2ADRB3
SCHEMBL16975866 0.85 GPR84 (0.56) GPR84TACR1NR3C1NR3C2ADRB3

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-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed