SCHEMBL7963465

SCHEMBL7963465

CC1CC(NC([NH])=O)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
PPP1CA P62136 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PAK1 Q13153 1/20 0.34
APLNR P35414 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CFD P00746 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL14296414 0.85 ALDH1A1 (0.63) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555269 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555270 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555271 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL2024842 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL7963467 0.81 ALDH1A1 (0.59) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL9343577 0.80 ALDH1A1 (0.58) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL2916925 0.80 TDP1 (0.59) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL12731678 0.79 ALDH1A1 (0.56) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL9892337 0.79 ALDH1A1 (0.56) ALDH1A1LMNAHTTPPP1CATDP1

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed