SCHEMBL8553522

SCHEMBL8553522

CCC=CCCOC(=O)Nc1ccc2scc(C3CCN(C(CC)CC)CC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR1D P28221 7/20 0.34
HTR1B P28222 7/20 0.34
VCP P55072 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PDE7A Q13946 1/20 0.31
MAPT P10636 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL8553525 0.86 DRD2 (0.43) DRD2SLC6A4HTR1DHTR1BNPC1
SCHEMBL8552196 0.86 HTR1D (0.34) DRD2SLC6A4HTR1DHTR1BMAPT
SCHEMBL8549862 0.83 DRD2 (0.38) DRD2SLC6A4
SCHEMBL7481585 0.83 HTR1D (0.54) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL8552293 0.80 LMNA (0.42) DRD2SLC6A4HTR1DHTR1BCYP2C19
SCHEMBL8704365 0.79 DRD2 (0.42) DRD2SLC6A4HTR1DHTR1BNPC1
SCHEMBL8548010 0.77 DRD2 (0.40) DRD2SLC6A4HTR1DHTR1BHPGD
SCHEMBL8723972 0.76 HRH3 (0.35) DRD2SLC6A4HTR1DHTR1BSMN1; SMN2
SCHEMBL8703198 0.76 DRD2 (0.34) DRD2SLC6A4
SCHEMBL8553071 0.75 KMT2A (0.47) NPC1RAB9ASMN1; SMN2HPGDTP53

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