SCHEMBL7804716

SCHEMBL7804716

O=C(O)C(COc1ccccc1)C1(O)CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.57
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
CCR5 P51681 1/20 0.45
NR1D1 P20393 1/20 0.44
USP2 O75604 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL7804540 0.89 AVPR1A (0.55) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7811765 0.86 AVPR1A (0.54) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7804532 0.83 KCNA5 (0.52) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL7814140 0.81 NPC1 (0.50) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7813987 0.80 ALDH1A1 (0.55) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7813554 0.80 AVPR1A (0.56) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7804443 0.78 MEN1 (0.52) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7804488 0.78 AVPR1A (0.54) AVPR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL7813958 0.78 MME (0.47) MEN1KMT2AUSP2
SCHEMBL7813501 0.76 ALDH1A1 (0.53) AVPR1AALDH1A1MEN1KMT2ALMNA

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
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP 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