SCHEMBL8548010

SCHEMBL8548010

CCC(CC)N1CCC(c2csc3ccc(NC(=O)c4ccccc4C(C)=O)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAOB P27338 1/20 0.38
MAT2A P31153 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
REV1 Q9UBZ9 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGES O14684 1/20 0.35
RORC P51449 1/20 0.35
NPY2R P49146 1/20 0.35
CCR2 P41597 1/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL8704365 0.86 DRD2 (0.42) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL8548023 0.84 DRD2 (0.50) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL8553071 0.84 KMT2A (0.47) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL8552293 0.84 LMNA (0.42) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL8553184 0.82 RAB9A (0.41) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL30908885 0.82 HTR1D (0.56) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL7483399 0.82 HTR1D (0.56) DRD2HTR1DHTR1BHTR1AHTR1F
SCHEMBL8553565 0.81 MAPT (0.36) DRD2SLC6A4MAOBMAPTMEN1
SCHEMBL8721187 0.80 TDP1 (0.38) MAOBMAPTMEN1KMT2AUSP2
SCHEMBL30909070 0.80 TDP1 (0.38) MAOBMAPTMEN1KMT2AUSP2

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-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed