SCHEMBL24988657

SCHEMBL24988657

CCCCCc1cc(C)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
HSD11B1 P28845 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
NPY5R Q15761 6/20 0.41
PSMB5 P28074 1/20 0.40
MPL P40238 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
PPARG P37231 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 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
SCHEMBL24988907 0.96 PSMB5 (0.44) CTSVCTSLHSD11B1GPR84NPY5R
SCHEMBL25014429 0.90 NPY5R (0.42) NPY5RPPARGNPC1RAB9AADORA3
SCHEMBL24990242 0.84 CTSV (0.44) CTSVCTSLHSD11B1GPR84NPY5R
SCHEMBL25014995 0.82 NPY5R (0.39) GPR84NPY5RPPARGNPC1RAB9A
SCHEMBL24988650 0.81 CTSV (0.45) CTSVCTSLGPR84NPY5RPSMB5
SCHEMBL24989519 0.79 MPL (0.41) CTSVCTSLHSD11B1GPR84NPY5R
SCHEMBL24988856 0.79 NPY5R (0.42) CTSVCTSLNPY5RPSMB5MPL
SCHEMBL24988933 0.79 TLR8 (0.41) CTSVCTSLPSMB5MPL
SCHEMBL24988939 0.78 MPL (0.43) CTSVCTSLHSD11B1GPR84NPY5R
SCHEMBL24988943 0.78 PPARG (0.58) CTSVCTSLGPR84PPARGNPC1

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
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed