SCHEMBL9011012

SCHEMBL9011012

O=C(O)Cc1cccc(C2CCN(C(=O)c3ccco3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 6/20 0.55
CCR5 P51681 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.51
RBP4 P02753 1/20 0.51
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL27508890 0.85 RAB9A (0.84) RAB9AALDH1A1CCR5SMN1; SMN2PKM
SCHEMBL7814284 0.83 ALDH1A1 (0.57) RAB9AALDH1A1CCR5SMN1; SMN2PKM
SCHEMBL9010993 0.79 SMN1; SMN2 (0.60) RAB9AALDH1A1CCR5SMN1; SMN2NPC1
SCHEMBL23972333 0.79 AKR1B1 (0.50) ALDH1A1LMNAKDM4ETDP1TSHR
SCHEMBL31263811 0.78 QDPR (0.48) ALDH1A1
SCHEMBL25377908 0.78 QDPR (0.48) ALDH1A1
SCHEMBL9011020 0.78 CCR5 (0.55) ALDH1A1CCR5KDM4E
SCHEMBL9011249 0.78 DRD4 (0.59) RAB9ALMNANPC1TSHR
SCHEMBL9011030 0.78 USP2 (0.71) RAB9AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9011061 0.77 CCR5 (0.54) ALDH1A1CCR5PKMLMNAKDM4E

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
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN 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