SCHEMBL14356018

SCHEMBL14356018

C[C@H](c1ccncc1)N1CCN(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL13391712 1.00 MGLL (0.52) MGLLMEN1KMT2AHSD11B1KDM4E
SCHEMBL13391737 0.89 MGLL (0.52) MGLLMEN1KMT2AHSD11B1KDM4E
SCHEMBL14356016 0.89 MGLL (0.52) MGLLMEN1KMT2AHSD11B1KDM4E
SCHEMBL13391141 0.85 CCR5 (0.41) MGLL
SCHEMBL14355891 0.85 CCR5 (0.41) MGLL
SCHEMBL13391092 0.79 LSS (0.58) MGLLMEN1KMT2AHSD11B1
SCHEMBL8105641 0.78 CYP3A4 (0.49) MGLLMEN1KMT2A
SCHEMBL28975833 0.77 POLB (0.68) MGLLMEN1KMT2AHSD11B1KDM4E
SCHEMBL9444391 0.74 KCNH2 (0.49) MGLLMEN1KMT2AKDM4EPOLB
SCHEMBL14456962 0.73 CNR1 (0.65) GAA

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
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
Send feedback