SCHEMBL9011023

SCHEMBL9011023

O=C(O)CC(c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 1/20 0.53
AVPR1A P37288 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TGM2 P21980 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL9011164 0.88 ALDH1A1 (0.51) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL9011033 0.81 AVPR1A (0.55) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL7804359 0.80 ALDH1A1 (0.50) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL4453090 0.80 ALDH1A1 (0.77) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL9011113 0.79 ALDH1A1 (0.53) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL7813501 0.78 ALDH1A1 (0.53) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL9011091 0.78 TSHR (0.57) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL27798453 0.77 ALDH1A1 (0.52) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL3582934 0.77 ALDH1A1 (0.68) ALDH1A1LMNAAVPR1AMEN1KMT2A
SCHEMBL9011209 0.76 AVPR1A (0.57) ALDH1A1LMNAAVPR1AMEN1KMT2A

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
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN 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