SCHEMBL27366338

SCHEMBL27366338

Ic1ccc(N2CCC3(CCN(CC4CCNCC4)CC3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
TSHR P16473 3/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MERTK Q12866 3/20 0.36
AXL P30530 2/20 0.36
AURKA O14965 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL27363463 0.74 KCNH2 (0.41) MERTKAXLAURKARETMET
SCHEMBL27366890 0.74 DRD2 (0.46) MERTKRETCACNA2D1CACNA1BCACNB1
SCHEMBL27367383 0.74 CACNA2D1 (0.39) MERTKAXLAURKARETMET
SCHEMBL3413013 0.73 PLD1 (0.53) CYP3A4CYP2C9HPGDMEN1ALDH1A1
SCHEMBL27366339 0.73 PDE10A (0.47) MERTKCACNA2D1CACNA1BCACNB1CHRM4
SCHEMBL27363571 0.73 GPR119 (0.45) MERTKAXLAURKARETMET
SCHEMBL27363476 0.73 TNKS (0.41) CYP3A4CYP2C9TSHRCYP2D6HPGD
SCHEMBL23875271 0.72 HPGDS (0.46) HPGDALDH1A1KMT2ASMN1; SMN2CACNA2D1
SCHEMBL27367212 0.72 PDE10A (0.42) RETDGAT1CHRM4
SCHEMBL27363630 0.71 CHRM4 (0.43) RETCHRM4

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed