SCHEMBL9011053

SCHEMBL9011053

O=C(O)C(CCc1ccccc1)C1=CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TGM2 P21980 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL9011127 0.89 AVPR1A (0.49) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL7813953 0.86 ALDH1A1 (0.45) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL7813359 0.83 ALDH1A1 (0.47) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL9011017 0.79 AVPR1A (0.47) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL9011187 0.78 PTGDR (0.45) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL9010984 0.78 PTGDR (0.47) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL9011055 0.75 AVPR1A (0.55) AVPR1AMEN1KMT2ATGM2ALDH1A1
SCHEMBL7817534 0.75 PTGDR (0.43) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL7804350 0.74 AVPR1A (0.44) AVPR1AMEN1KMT2ACYP2C9PTGER2
SCHEMBL9011192 0.74 MEN1 (0.51) AVPR1AMEN1KMT2ACYP2C9PTGER2

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