SCHEMBL8645993

SCHEMBL8645993

COCC(=O)Nc1cccc(-c2cccc(OC)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
NPC1 O15118 3/20 0.64
HPGD P15428 2/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
CNR1 P21554 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
CDK8 P49336 1/20 0.57
USP2 O75604 1/20 0.57
RAB9A P51151 3/20 0.56
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL2502606 0.91 NPC1 (0.76) MTNR1AMTNR1BNPC1HPGDALDH1A1
SCHEMBL8644515 0.87 MTNR1B (0.68) CYP2C19MTNR1AMTNR1BNPC1HPGD
SCHEMBL7452038 0.84 MTNR1B (0.76) MTNR1AMTNR1BHPGDALDH1A1CNR1
SCHEMBL9495103 0.83 SMN1; SMN2 (0.71) CYP2C19MTNR1AMTNR1BNPC1HPGD
SCHEMBL8228787 0.82 CYP2C19 (0.67) CYP2C19MTNR1AMTNR1BNPC1HPGD
SCHEMBL8642110 0.81 CNR1 (0.64) NPC1ALDH1A1SMN1; SMN2TP53CNR1
SCHEMBL7284435 0.80 HPGD (0.77) MTNR1AMTNR1BNPC1HPGDALDH1A1
SCHEMBL5142657 0.80 NPC1 (0.75) MTNR1AMTNR1BNPC1HPGDALDH1A1
SCHEMBL8365621 0.79 CYP2C19 (0.59) CYP2C19MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL8144502 0.79 MTNR1B (1.00) MTNR1AMTNR1BNPC1HPGDALDH1A1

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
US-5808151-A CONTROLLING SLEEP BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-15 US disclosed