SCHEMBL22760424

SCHEMBL22760424

CCN(CC)c1c(C(=O)O)n(-c2ccccc2C(C)C)c2ccc(Cl)c(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
ALOX15 P16050 1/20 0.32
DRD2 P14416 4/20 0.32
HTR1A P08908 2/20 0.32
HTR2A P28223 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
NOTUM Q6P988 2/20 0.31
CCR2 P41597 1/20 0.31
DRD3 P35462 2/20 0.31
KRAS P01116 1/20 0.31
KCNQ2 O43526 1/20 0.30
ELANE P08246 1/20 0.30
HTR7 P34969 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PLA2G4A P47712 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL22760127 0.86 NOTUM (0.37) P2RX7ALOX15NOTUMCCR2PLA2G4A
SCHEMBL22760364 0.83 FOLH1 (0.37) NOTUMCCR2
SCHEMBL22760358 0.83 KRAS (0.37) P2RX7ALOX15NOTUMCCR2KRAS
SCHEMBL22760144 0.79 RPA1 (0.36) HTR1ANOTUMCCR2
SCHEMBL22747882 0.78 HTT (0.37) NOTUMCCR2
SCHEMBL22760158 0.77 NOTUM (0.41) NOTUM
SCHEMBL22760379 0.77 SMN1; SMN2 (0.35) NOTUMPPARG
SCHEMBL22760068 0.76 CENPE (0.38) NOTUMCCR2PPARG
SCHEMBL22760070 0.73 FOLH1 (0.35) CCR2
SCHEMBL22747829 0.73 FOLH1 (0.35) NOTUM

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed