SCHEMBL6983850

SCHEMBL6983850

CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CN1CCN(c3ccccc3)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
Hydrochloric Acid SCHEMBL6980238 0.99 ALDH1A1 (0.40) MEN1KMT2AATMEGFRALDH1A1
SCHEMBL8309041 0.90 HTR2A (0.41) MEN1KMT2AATMEGFRALDH1A1
SCHEMBL6985836 0.85 DRD2 (0.40) MEN1KMT2AALDH1A1HTR2CHTR2B
SCHEMBL6980360 0.85 SLC18A3 (0.40) HTTHTR7DRD2DRD3
Hydrochloric Acid SCHEMBL6980227 0.84 DRD2 (0.40) MEN1KMT2AALDH1A1HTR2CHTR2B
SCHEMBL4035933 0.82 ALOX15 (0.50) MEN1KMT2AALDH1A1HTR2CHTR2B
SCHEMBL6982775 0.81 SLC6A3 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6983488 0.80 DRD2 (0.41) MEN1KMT2AALDH1A1HTR2CHTR2B
SCHEMBL8309047 0.80 ALDH1A1 (0.38) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL8713491 0.77 ALOX5 (0.38) MEN1KMT2AALDH1A1KDM4ELMNA

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-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed