SCHEMBL23085544

SCHEMBL23085544

CN1C(=O)CCOc2ccc(CCC(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.44
KMO O15229 1/20 0.42
FABP4 P15090 1/20 0.41
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
RXRA P19793 1/20 0.39
TSHR P16473 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTT P42858 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PKM P14618 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
SCHEMBL22590446 0.85 RIPK1 (0.48) RIPK1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL22048464 0.81 PARP1 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL26410406 0.81 RIPK1 (0.42) RIPK1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL10643228 0.80 KMO (0.50) RIPK1KMOHTR1AHTR1DHTR1B
SCHEMBL30986604 0.78 LMNA (0.51)
SCHEMBL30986608 0.78 LMNA (0.51)
SCHEMBL21531332 0.77 RIPK1 (0.53) RIPK1LTB4RLTB4R2
SCHEMBL21531334 0.77 RIPK1 (0.53) RIPK1LTB4RLTB4R2
SCHEMBL81136 0.76 FABP4 (0.58) FABP4SLC6A4KCNH2TSHRDRD2
SCHEMBL17316537 0.74 TSHR (0.50) KMOHTR1AHTR1DHTR1BSLC6A4

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-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
WO-2021046407-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed