SCHEMBL8299183

SCHEMBL8299183

Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 2/20 0.64
NPBWR1 P48145 1/20 0.64
MCHR1 Q99705 1/20 0.64
CYP2C19 P33261 2/20 0.63
CYP2C9 P11712 1/20 0.63
HTR2B P41595 1/20 0.63
MAPK14 Q16539 1/20 0.63
MGLL Q99685 2/20 0.60
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP46A1 Q9Y6A2 1/20 0.58
CA12 O43570 1/20 0.58

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
SCHEMBL10723602 0.91 MGLL (0.67) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL7232379 0.86 HTT (0.73) MEN1KMT2AHTTCYP2C19CYP2C9
SCHEMBL29941294 0.85 HTT (0.69) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL17730065 0.85 ADRB2 (0.65) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL7242121 0.84 LMNA (0.58) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL14600512 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL7239929 0.84 MGLL (0.66) MEN1KMT2AALDH1A1CYP2C19CYP2C9
SCHEMBL9633280 0.84 HPGD (0.64) MEN1KMT2AHTTMGLLHPGD
SCHEMBL10719972 0.83 HTT (0.78) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL5789068 0.82 MGLL (0.58) MEN1KMT2ASMN1; SMN2HTTALDH1A1

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
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed