SCHEMBL9010961

SCHEMBL9010961

O=C(O)CCc1ccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
CAPN1 P07384 1/20 0.49
CTSB P07858 1/20 0.49
HPGD P15428 1/20 0.49
AKR1C1 Q04828 1/20 0.48
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MGLL Q99685 1/20 0.47
HSD11B1 P28845 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL9259543 0.94 DRD4 (0.61) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011045 0.89 DRD4 (0.58) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011016 0.89 DRD4 (0.58) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL27297526 0.86 NPC1 (0.70) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL7810022 0.85 NPC1 (0.54) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL7817809 0.84 S1PR1 (0.53) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011270 0.83 DRD4 (0.59) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL7817826 0.82 NPC1 (0.56) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9010976 0.82 NPC1 (0.56) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011005 0.82 LMNA (0.73) DRD4NPC1RAB9ATSHRLMNA

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