SCHEMBL17328481

SCHEMBL17328481

O=C(O)[C@]1(O)CCN(Cc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
RIPK1 Q13546 1/20 0.49
POLB P06746 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
METAP2 P50579 5/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
OPRL1 P41146 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.42
HPGD P15428 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL15374440 1.00 KMT2A (0.56) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL15319579 1.00 KMT2A (0.56) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL17048478 0.86 KDM4E (0.51) OPRL1HPGDCHRM2
SCHEMBL15374438 0.82 CYP3A4 (0.50) KMT2AMEN1POLBCYP2D6CYP2C9
SCHEMBL15319169 0.82 KMT2A (0.48) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL8913154 0.80 KMT2A (0.55) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL3194202 0.80 KMT2A (0.55) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL15374997 0.76 METAP2 (0.58) METAP2
SCHEMBL4068492 0.76 RIPK1 (0.64) KMT2AMEN1RIPK1POLBCYP2D6
SCHEMBL24992399 0.76 KMT2A (0.61) KMT2AMEN1RIPK1POLBCYP2D6

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-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed