SCHEMBL8169666

SCHEMBL8169666

O=C1NC(CC2CCCC2)=NC1(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
BACE2 Q9Y5Z0 2/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
APP P05067 1/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL8175293 0.71 BACE1 (0.51) BACE1BACE2LMNAGLATHRB
SCHEMBL8958172 0.70 BACE1 (0.50) BACE1BACE2LMNAGLATHRB
SCHEMBL8172406 0.69 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL6601819 0.69 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL8162305 0.69 BACE1 (0.49) BACE1BACE2LMNAGLATHRB
SCHEMBL4239036 0.65 BACE1 (1.00) BACE1BACE2LMNAGLATHRB
SCHEMBL6591928 0.65 BACE1 (0.61) BACE1BACE2LMNAGLATHRB
SCHEMBL2980975 0.65 BACE1 (0.61) BACE1BACE2LMNAGLATHRB
SCHEMBL6587747 0.64 BACE1 (0.43) BACE1BACE2LMNAGLATHRB
SCHEMBL316482 0.61 GBA1 (0.65)

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-6063934-A Imidazolone anorectic agents: 1. 2-substituted-3,5-dihydro-5,5-diphenyl-4H-imidazol-4-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-16 US disclosed