SCHEMBL7813359

SCHEMBL7813359

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1D1 P20393 1/20 0.43
AVPR1A P37288 1/20 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
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
GCGR P47871 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
SCHEMBL7813953 0.90 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANR1D1AVPR1A
SCHEMBL7811489 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANR1D1AVPR1A
SCHEMBL9011127 0.85 AVPR1A (0.49) ALDH1A1MEN1KMT2AAVPR1ACYP2C9
SCHEMBL7810158 0.83 KCNA5 (0.47) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL9011053 0.83 AVPR1A (0.47) ALDH1A1MEN1KMT2AAVPR1ACYP2C9
SCHEMBL7804175 0.82 NPC1 (0.46) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7804350 0.80 AVPR1A (0.44) ALDH1A1MEN1KMT2ANR1D1AVPR1A
SCHEMBL7817534 0.79 PTGDR (0.43) ALDH1A1MEN1KMT2ANR1D1AVPR1A
SCHEMBL7811215 0.79 NPC1 (0.42) ALDH1A1MEN1KMT2ACYP2C9PTGER2
SCHEMBL9010984 0.78 PTGDR (0.47) ALDH1A1MEN1KMT2AAVPR1ACYP2C9

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