SCHEMBL8901826

SCHEMBL8901826

CC(C)(C)OC(=O)N1CCN(CCCCC=O)CC1.COC(C)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.40
KMT5A Q9NQR1 1/20 0.40
TLR8 Q9NR97 1/20 0.39
EPHX2 P34913 5/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ABCB1 P08183 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
SCHEMBL25507305 0.92 ACKR3 (0.44) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL25507697 0.91 ACKR3 (0.43) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL1715473 0.91 ACKR3 (0.43) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL24568430 0.88 ACKR3 (0.45) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL4202607 0.82 USP2 (0.47) ACKR3TLR8EPHX2USP2SMN1; SMN2
SCHEMBL8253901 0.81 USP2 (0.51) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL16744141 0.80 USP2 (0.43) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL20873847 0.79 USP2 (0.53) ACKR3TLR8EPHX2USP2SMN1; SMN2
SCHEMBL15585975 0.79 TLR8 (0.42) ACKR3KMT5ATLR8EPHX2USP2
SCHEMBL8145651 0.79 TLR8 (0.42) ACKR3KMT5ATLR8EPHX2USP2

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-1997017338-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-BENZYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-15 WO disclosed