SCHEMBL6162890

SCHEMBL6162890

CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(n3c(-c4ccccc4)nc4ccccc43)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PABPC1 P11940 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NTSR1 P30989 1/20 0.47
ALDH1A1 P00352 1/20 0.46
STS P08842 1/20 0.46
OPRM1 P35372 2/20 0.45
OGFRL1 Q5TC84 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
YAP1 P46937 1/20 0.44
P2RX7 Q99572 2/20 0.44
FPR2 P25090 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL6162897 1.00 MAPK1 (0.57) MAPK1KMT2AMAPTNPSR1MEN1
SCHEMBL6165473 0.85 KMT2A (0.49) MAPK1KMT2AMAPTNPSR1MEN1
SCHEMBL6165477 0.85 KMT2A (0.49) MAPK1KMT2AMAPTNPSR1MEN1
SCHEMBL6163831 0.84 CALCRL (0.47) KMT2AOPRM1OGFRL1OPRD1OPRK1
SCHEMBL6163841 0.84 CALCRL (0.47) KMT2AOPRM1OGFRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6163666 0.83 CALCRL (0.47) KMT2AOPRM1OGFRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6163658 0.83 CALCRL (0.47) KMT2AOPRM1OGFRL1OPRD1OPRK1
SCHEMBL6161965 0.83 MAPK1 (0.48) MAPK1KMT2APABPC1ALDH1A1STS
SCHEMBL6161971 0.83 MAPK1 (0.48) MAPK1KMT2APABPC1ALDH1A1STS
SCHEMBL8412850 0.82 CALCRL (0.50) KMT2AMEN1FPR2BRD4

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed