SCHEMBL7811596

SCHEMBL7811596

O=C(O)CCCOc1cccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
PARP14 Q460N5 3/20 0.51
PARP10 Q53GL7 3/20 0.51
DRD4 P21917 3/20 0.49
HRH3 Q9Y5N1 6/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 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
SCHEMBL7811616 0.95 NPC1 (0.52) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7817809 0.90 S1PR1 (0.53) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7817601 0.89 NPC1 (0.54) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7813354 0.86 CCR5 (0.51) HRH3TSHR
SCHEMBL7811526 0.85 PARP10 (0.53) NPC1RAB9APARP14PARP10LMNA
SCHEMBL9011270 0.85 DRD4 (0.59) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7810022 0.85 NPC1 (0.54) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7804397 0.83 NPC1 (0.52) NPC1RAB9APARP10DRD4HRH3
SCHEMBL9011045 0.82 DRD4 (0.58) NPC1RAB9APARP14PARP10DRD4
SCHEMBL7810104 0.82 LMNA (0.67) NPC1RAB9APARP14PARP10HRH3

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