SCHEMBL4768299

SCHEMBL4768299

Cc1cc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)n(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
TSHR P16473 3/20 0.57
F10 P00742 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MDM2 Q00987 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL4775487 0.95 KMT2A (0.53) KMT2ATSHRF10ALDH1A1LMNA
SCHEMBL4767967 0.85 HRH3 (0.48) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL4773051 0.85 MAPT (0.56) KMT2AALDH1A1LMNAHPGDHRH3
SCHEMBL4777120 0.85 NPY5R (0.54) HRH3
SCHEMBL4765564 0.85 HRH3 (0.46) KMT2AKDM4EHRH3MEN1
SCHEMBL4768724 0.83 BLM (0.46) KMT2AALDH1A1SMYD3HRH3MEN1
SCHEMBL4774462 0.82 RAB9A (0.59) KMT2AHPGDMEN1
SCHEMBL4765386 0.82 TP53 (0.55) KMT2AALDH1A1LMNAKDM4EHRH3
SCHEMBL4768161 0.81 POLB (0.56) KMT2AALDH1A1LMNAKDM4EHRH3
Trifluoroacetic Acid SCHEMBL4774586 0.81 MAPT (0.51) KMT2AALDH1A1LMNAHPGDHRH3

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed