SCHEMBL30106504

SCHEMBL30106504

CC1(C)CCCN1c1nc(Cl)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CNR2 P34972 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ACACB O00763 3/20 0.34
FFAR2 O15552 1/20 0.34
KIF18A Q8NI77 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33

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
SCHEMBL23009999 0.89 PARP1 (0.40) CNR2SCN10AACACBFFAR2PARP1
SCHEMBL24070524 0.77 ALDH1A1 (0.35) KDM5AKDM4CCNR2SCN10AACACB
SCHEMBL17648603 0.77 CFTR (0.39) POLBTDP1L3MBTL1KMT2A
SCHEMBL29146243 0.76 KMT2A (0.38) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL21323394 0.75 KIF18A (0.40) SCN10AFFAR2KIF18A
SCHEMBL23010272 0.75 PARP1 (0.39) FFAR2PARP1
SCHEMBL25300913 0.74 CNR2 (0.45) CNR2SCN10APOLBTDP1L3MBTL1
SCHEMBL30562372 0.74 SCN10A (0.56) SCN10A
SCHEMBL25389585 0.74 SCN10A (0.56) SCN10A
SCHEMBL22120568 0.73 KIF18A (0.41) SCN10AKIF18APOLBTDP1L3MBTL1

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
CN-115551867-A Fused tricyclic compound, pharmaceutical composition and application thereof 劲方医药科技(上海)有限公司 2022-12-30 CN disclosed