SCHEMBL20001243

SCHEMBL20001243

COc1ccc(C2CC(=O)N(CC3CC3)CC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 9/20 0.67
KDM1A O60341 2/20 0.47
FPR2 P25090 5/20 0.46
PDE4B Q07343 3/20 0.42
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39
SCN9A Q15858 2/20 0.38

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
SCHEMBL19988712 1.00 FPR1 (0.67) FPR1KDM1AFPR2PDE4BMAOB
SCHEMBL19972286 0.88 FPR1 (0.71) FPR1FPR2POLBTDP1
SCHEMBL19988405 0.83 FPR1 (0.67) FPR1FPR2PDE4BSCN9A
SCHEMBL19988380 0.83 FPR1 (0.63) FPR1KDM1AFPR2PDE4BMAOB
SCHEMBL20001277 0.83 FPR1 (0.63) FPR1KDM1AFPR2PDE4BMAOB
SCHEMBL19988708 0.80 FPR1 (1.00) FPR1FPR2
SCHEMBL19972268 0.80 FPR1 (1.00) FPR1FPR2
SCHEMBL19972270 0.80 FPR1 (1.00) FPR1FPR2
SCHEMBL21342018 0.78 KDM1A (0.47) FPR1KDM1AFPR2PDE4BMAOB
SCHEMBL21342410 0.78 KDM1A (0.47) FPR1KDM1AFPR2PDE4BMAOB

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-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed