SCHEMBL9011045

SCHEMBL9011045

O=C(O)CCc1cccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.58
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
CAPN1 P07384 1/20 0.50
CTSB P07858 1/20 0.50
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
AKR1C1 Q04828 1/20 0.46
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 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
SCHEMBL9011270 0.94 DRD4 (0.59) DRD4NPC1RAB9ACAPN1CTSB
SCHEMBL9011249 0.89 DRD4 (0.59) DRD4NPC1RAB9ACAPN1CTSB
SCHEMBL9010961 0.89 DRD4 (0.60) DRD4NPC1RAB9ACAPN1CTSB
SCHEMBL27297526 0.84 NPC1 (0.70) DRD4NPC1RAB9APARP14PARP10
Trifluoroacetic Acid SCHEMBL4398468 0.84 TPSAB1 (0.63)
SCHEMBL7811616 0.83 NPC1 (0.52) DRD4NPC1RAB9APARP14PARP10
SCHEMBL9011116 0.83 CCR5 (0.53)
SCHEMBL9259543 0.83 DRD4 (0.61) DRD4NPC1RAB9ACAPN1CTSB
SCHEMBL7811596 0.82 NPC1 (0.51) DRD4NPC1RAB9APARP14PARP10
SCHEMBL7817601 0.81 NPC1 (0.54) DRD4NPC1RAB9APARP14PARP10

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