SCHEMBL18544428

SCHEMBL18544428

CC(C)(C)C1(CNCc2ccccc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
OPRL1 P41146 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
OPRM1 P35372 1/20 0.39
RIPK1 Q13546 1/20 0.38
PPID Q08752 1/20 0.38
METAP2 P50579 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 2/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL7983508 0.91 DPP7 (0.40) OPRL1SMN1; SMN2KMT2ADPP7
SCHEMBL2545928 0.80 METAP2 (0.42) OPRM1METAP2LMNAATMKMT2A
SCHEMBL2545929 0.80 METAP2 (0.42) OPRM1METAP2LMNAATMKMT2A
SCHEMBL10002339 0.76 CXCR4 (0.36) RAB9AHDAC8HDAC6
SCHEMBL337364 0.74 LMNA (0.45) SMN1; SMN2LMNA
SCHEMBL20240379 0.74 OPRL1 (0.43) OPRL1OPRM1KMT2A
SCHEMBL336767 0.74 LMNA (0.45) SMN1; SMN2LMNA
SCHEMBL14718566 0.72 DPP4 (0.40) OPRL1OPRM1RAB9AKMT2ADPP7
SCHEMBL25249805 0.71 KMT2A (0.39) KMT2ADPP7
SCHEMBL12492863 0.70 AVPR1A (0.43) KDM4EOPRL1OPRM1RIPK1METAP2

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
EP-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 EP disclosed