SCHEMBL8551514

SCHEMBL8551514

CCCOC(=O)c1cccc(NC(=O)Nc2ccc3scc(C4CCN(CC(C)C)CC4)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
P2RY1 P47900 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PFKFB3 Q16875 1/20 0.38
PFKFB4 Q16877 1/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL7489097 0.84 HTR1D (0.49) DRD2CCR2
SCHEMBL8552510 0.84 DRD2 (0.40) P2RY1KCNH2DRD2SLC6A4
SCHEMBL8552507 0.82 DRD2 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8551516 0.80 DRD2 (0.40) P2RY1KCNH2DRD2SLC6A4
SCHEMBL8547062 0.78 DRD2 (0.46) KCNH2DRD2SLC6A4CCR2
SCHEMBL8704937 0.76 DRD2 (0.44) ALDH1A1P2RY1KCNH2MAPTSMN1; SMN2
SCHEMBL8552657 0.76 L3MBTL1 (0.49) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL8552124 0.76 DRD2 (0.43) ALDH1A1P2RY1KCNH2MAPTKMT2A
SCHEMBL8550058 0.76 DRD2 (0.41) DRD2SLC6A4TSHR
SCHEMBL8703019 0.76 DRD2 (0.53) NPC1RAB9ADRD2SLC6A4CCR2

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-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed