SCHEMBL9099535

SCHEMBL9099535

CN(CCCNC(=O)CCN(C)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
BCHE P06276 1/20 0.55
GAA P10253 1/20 0.52
CNR1 P21554 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 1/20 0.47
ACKR3 P25106 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
GFER P55789 2/20 0.47
ALOX15 P16050 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4861149 0.88 USP2 (0.57) USP2BCHEGAACNR1MTNR1A
SCHEMBL9549340 0.87 DNM1 (0.62) USP2BCHEGAAHPGDMMP2
SCHEMBL9101010 0.86 USP2 (0.47) USP2BCHEGAAMTNR1AMTNR1B
SCHEMBL13415823 0.84 MTNR1A (0.66) USP2BCHECNR1MTNR1AMTNR1B
SCHEMBL2012086 0.84 ACKR3 (0.54) USP2BCHEGAACNR1MTNR1A
SCHEMBL9244171 0.82 MMP2 (0.50) USP2BCHEGAAMMP2
SCHEMBL8285864 0.82 HDAC6 (0.55) USP2BCHECNR1MTNR1AMTNR1B
SCHEMBL13396996 0.80 CYP2C19 (0.59) USP2BCHECNR1MTNR1AMTNR1B
SCHEMBL28417610 0.80 BCHE (0.54) USP2BCHEGAACNR1MTNR1A
SCHEMBL9103877 0.80 USP2 (0.45) USP2BCHEGAAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474431-B1 Amphiphilic compounds for sequential monolayer deposition ICI PLC (GB) 1996-03-06 EP disclosed
US-5275924-A Non-centrosymmetric; hydrophobic; chromophores IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
EP-0474431-A1 Amphiphilic compounds for sequential monolayer deposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed