SCHEMBL3628692

SCHEMBL3628692

CC(C)(C)N1CCC(C(=O)NCC(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ACKR3 P25106 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.44
UBE2M P61081 3/20 0.44
DCUN1D1 Q96GG9 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MGLL Q99685 1/20 0.43
CCR2 P41597 2/20 0.43
MEN1 O00255 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
SCHEMBL3630125 0.86 SMN1; SMN2 (0.44) ACKR3HSD11B1ALDH1A1POLBMGLL
SCHEMBL311627 0.86 KMT2A (0.50) KMT2AACKR3TSHRLMNAKDM4E
SCHEMBL311246 0.85 STS (0.56) KMT2AACKR3KDM4EHSD11B1UBE2M
SCHEMBL805657 0.84 RXFP1 (0.51) ACKR3LMNAALDH1A1POLBCCR2
SCHEMBL13006887 0.72 NR1H4 (0.52) KMT2ATSHRLMNAALDH1A1MEN1
SCHEMBL311411 0.72 KMT2A (0.55) KMT2AKDM4EALDH1A1
SCHEMBL14608979 0.72 CCR2 (0.45) LMNAALDH1A1MGLLCCR2
SCHEMBL5202821 0.72 CCR2 (0.45) LMNAALDH1A1MGLLCCR2
SCHEMBL311785 0.72 EPHX2 (0.52) KMT2AKDM4EHSD11B1MGLLMEN1
SCHEMBL15732567 0.71 GAA (0.50) KMT2ALMNAHSD11B1UBE2MDCUN1D1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed