SCHEMBL9259543

SCHEMBL9259543

O=C(O)CCCc1ccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.61
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.53
S1PR1 P21453 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
AKR1C1 Q04828 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46
MGLL Q99685 2/20 0.45

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
SCHEMBL9010961 0.94 DRD4 (0.60) DRD4NPC1RAB9AS1PR1TSHR
SCHEMBL9011270 0.90 DRD4 (0.59) DRD4NPC1RAB9ACYP1A2TSHR
SCHEMBL9011016 0.87 DRD4 (0.58) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL7817809 0.86 S1PR1 (0.53) DRD4NPC1RAB9AS1PR1TSHR
SCHEMBL27297526 0.84 NPC1 (0.70) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011045 0.83 DRD4 (0.58) DRD4NPC1RAB9ATSHRLMNA
SCHEMBL9011162 0.83 NPC1 (0.54) DRD4NPC1RAB9ACYP1A2TSHR
SCHEMBL7810022 0.83 NPC1 (0.54) DRD4NPC1RAB9AS1PR1TSHR
SCHEMBL9011170 0.83 LMNA (0.70) DRD4NPC1CYP1A2TSHRLMNA
SCHEMBL9011078 0.82 CCR5 (0.54) DRD4CYP1A2S1PR1TSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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