SCHEMBL7847683

SCHEMBL7847683

O=C(CCc1c[nH]c2ccccc12)NC1Cc2ccccc2C1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.79
HTT P42858 1/20 0.79
RECQL P46063 1/20 0.79
BCHE P06276 1/20 0.63
ACHE P22303 1/20 0.63
MAPT P10636 3/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL14261307 0.93 HPGD (0.68) HPGDHTTRECQLBCHEACHE
SCHEMBL7846913 0.92 HPGD (0.74) HPGDHTTRECQLBCHEACHE
SCHEMBL14261162 0.88 HPGD (0.61) HPGDHTTRECQLMAPTALDH1A1
SCHEMBL7849079 0.85 HPGD (0.93) HPGDHTTRECQLBCHEACHE
SCHEMBL7851490 0.85 HTT (0.88) HPGDHTTRECQLBCHEACHE
SCHEMBL7846847 0.80 HPGD (0.67) HPGDHTTRECQLBCHEACHE
SCHEMBL12371556 0.80 MAPT (0.78) HPGDHTTRECQLMAPTALDH1A1
SCHEMBL1520411 0.78 MAPT (0.76) HPGDHTTRECQLMAPTALDH1A1
SCHEMBL13176318 0.78 HPGD (0.70) HPGDHTTRECQLBCHEACHE
SCHEMBL7847606 0.77 HPGD (0.70) HPGDHTTRECQLBCHEACHE

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed