SCHEMBL23316487

SCHEMBL23316487

CNN1CCCc2c(C(C)C)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 8/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL16019534 0.79 TNKS (0.41) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL19046968 0.78 C5AR1 (0.35) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL19755626 0.78 C5AR1 (0.35) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL25820352 0.72 MAPT (0.42) MEN1KMT2ALMNAHPGDTSHR
SCHEMBL16202644 0.71 HPGD (0.38) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL11405929 0.71 NOTUM (0.51) SLC6A2HTR2CHTR2BKDM4E
SCHEMBL9914264 0.70 FAAH (0.36) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL25688361 0.70 GABRA1 (0.41) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL23316701 0.70 GABRA1 (0.36) C5AR1MEN1KMT2ATDP1FAAH
SCHEMBL14625026 0.69 NOTUM (0.50) MEN1KMT2AMGLLTSHRALDH1A1

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-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed