SCHEMBL9011017

SCHEMBL9011017

O=C(O)CC(Cc1ccccc1)C1=CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
PTGDR Q13258 4/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.45
PTGER2 P43116 3/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL7811489 0.86 ALDH1A1 (0.45) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9011127 0.85 AVPR1A (0.49) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9010984 0.84 PTGDR (0.47) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL7804350 0.80 AVPR1A (0.44) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9011053 0.79 AVPR1A (0.47) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9011187 0.78 PTGDR (0.45) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL7813359 0.75 ALDH1A1 (0.47) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9011033 0.75 AVPR1A (0.55) AVPR1AMEN1KMT2AALDH1A1LMNA
SCHEMBL7817534 0.75 PTGDR (0.43) AVPR1APTGDRPTGDR2PTGER2CYP2C9
SCHEMBL9011192 0.74 MEN1 (0.51) AVPR1APTGDRPTGDR2PTGER2CYP2C9

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
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