SCHEMBL21342018

SCHEMBL21342018

COCCN1CC(c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
FPR1 P21462 6/20 0.47
FPR2 P25090 5/20 0.44
MMP2 P08253 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4B Q07343 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MME P08473 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL21342410 1.00 KDM1A (0.47) KDM1AFPR1FPR2MMP2MMP1
SCHEMBL21332026 0.88 FPR1 (0.49) FPR1FPR2MMP2MMP1MMP3
SCHEMBL21342456 0.85 FPR1 (0.53) KDM1AFPR1FPR2PDE4BMAOA
SCHEMBL21342020 0.85 FPR1 (0.60) KDM1AFPR1FPR2MMP2MMP1
SCHEMBL21341988 0.83 FPR1 (0.48) FPR1FPR2MMP2MMP1MMP3
SCHEMBL21342015 0.83 KDM1A (0.44) KDM1AFPR1FPR2CYP3A4CYP2C19
SCHEMBL21342340 0.81 LMNA (0.51) KDM1APDE4B
SCHEMBL21342429 0.81 SMN1; SMN2 (0.51) KDM1AFPR1FPR2PDE4B
SCHEMBL21342327 0.80 FPR1 (0.73) FPR1FPR2
SCHEMBL21342328 0.80 FPR1 (0.73) FPR1FPR2

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-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed