SCHEMBL11095690

SCHEMBL11095690

CCCCCCN1C2CCC1CC(C(=O)Nc1cc(Cl)ccc1OC)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11095484 0.85 HTR4 (0.52) KMT2AALDH1A1MEN1
SCHEMBL11098580 0.85 MAPT (0.51) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL11100115 0.85 TSHR (0.45) KMT2AALDH1A1TMEM97SIGMAR1MEN1
SCHEMBL11100992 0.84 ALDH1A1 (0.52) KMT2AALDH1A1SIGMAR1MAPTGAA
SCHEMBL11346054 0.83 MAPK1 (0.60) KMT2AALDH1A1MAPTMEN1
SCHEMBL11100788 0.83 TSHR (0.43) KMT2AALDH1A1TMEM97SIGMAR1MEN1
SCHEMBL11098785 0.82 CHEK1 (0.41) KMT2AALDH1A1TMEM97SIGMAR1MEN1
SCHEMBL11096830 0.82 SMN1; SMN2 (0.54) KMT2AALDH1A1MAPTMEN1
SCHEMBL11089660 0.81 HCRTR1 (0.53) KMT2AALDH1A1SIGMAR1MAPTMEN1
SCHEMBL11098498 0.81 SIGMAR1 (0.54) KMT2AALDH1A1SIGMAR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP disclosed