SCHEMBL8548733

SCHEMBL8548733

CCCCN1CCC(c2c(C)oc3ccc(NC(=O)Nc4cccc(I)c4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 9/20 0.41
UBE2M P61081 8/20 0.41
CCR3 P51677 1/20 0.39
DRD2 P14416 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL8703742 0.91 DCUN1D1 (0.45) DCUN1D1UBE2MCCR3EPHX2
SCHEMBL7484990 0.83 CCR2 (0.43) DCUN1D1UBE2MCCR3DRD2
SCHEMBL8549604 0.83 UBE2M (0.41) DCUN1D1UBE2MCCR3
SCHEMBL8707882 0.74 DRD2 (0.54) DRD2
SCHEMBL8703719 0.71 DRD2 (0.53) DRD2
SCHEMBL8551604 0.71 UBE2M (0.49) DCUN1D1UBE2MDRD2SMN1; SMN2
SCHEMBL8703395 0.70 DRD2 (0.61) DRD2
SCHEMBL8548622 0.69 DRD2 (0.47) DRD2
SCHEMBL8551266 0.69 RAB9A (0.46) SMN1; SMN2NPSR1
SCHEMBL8548439 0.69 DRD2 (0.48) DCUN1D1UBE2MDRD2EPHX2

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