SCHEMBL7813554

SCHEMBL7813554

O=C(O)CC(Oc1ccccc1)C1(O)CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.56
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CCR5 P51681 2/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7804488 0.90 AVPR1A (0.54) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7811765 0.83 AVPR1A (0.54) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7810120 0.83 POLB (0.48) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL7804716 0.80 AVPR1A (0.57) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7804359 0.79 ALDH1A1 (0.50) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7811441 0.78 MME (0.46) ALDH1A1POLBMEN1KMT2A
SCHEMBL7804540 0.78 AVPR1A (0.55) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7817608 0.77 ALDH1A1 (0.50) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7804350 0.75 AVPR1A (0.44) AVPR1AALDH1A1POLBHTTMEN1
SCHEMBL7804342 0.74 ALDH1A1 (0.49) AVPR1AALDH1A1POLBHTTMEN1

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