SCHEMBL7804397

SCHEMBL7804397

O=C(O)CCCOc1ccccc1C1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
DRD4 P21917 3/20 0.50
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
AKR1C1 Q04828 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7804407 0.95 NPC1 (0.53) NPC1RAB9AMEN1KMT2ADRD4
SCHEMBL7813945 0.89 PTGDR2 (0.56) NPC1RAB9AMEN1KMT2ADRD4
SCHEMBL7817809 0.84 S1PR1 (0.53) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9011162 0.83 NPC1 (0.54) NPC1RAB9AMEN1KMT2ADRD4
SCHEMBL7811596 0.83 NPC1 (0.51) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL7804382 0.82 MEN1 (0.67) MEN1KMT2ALMNAPTGDR2
SCHEMBL7814370 0.82 CNR2 (0.50) MEN1KMT2ATSHRLMNAPOLB
SCHEMBL7811440 0.81 LMNA (0.57) NPC1MEN1KMT2ATSHRLMNA
SCHEMBL9010976 0.81 NPC1 (0.56) NPC1RAB9AMEN1KMT2ADRD4
SCHEMBL7811675 0.80 KMT2A (0.58) NPC1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed