SCHEMBL8549604

SCHEMBL8549604

CCCCN1CCC(c2c(C)sc3ccc(NC(=O)Nc4cccc(I)c4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.41
DCUN1D1 Q96GG9 7/20 0.41
CCR3 P51677 1/20 0.41
RAB9A P51151 1/20 0.38
BCHE P06276 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
SCHEMBL7484990 0.83 CCR2 (0.43) UBE2MDCUN1D1CCR3
SCHEMBL8548733 0.83 DCUN1D1 (0.41) UBE2MDCUN1D1CCR3
SCHEMBL8703019 0.74 DRD2 (0.53) UBE2MDCUN1D1CCR3RAB9ABCHE
SCHEMBL8703742 0.73 DCUN1D1 (0.45) UBE2MDCUN1D1CCR3RAB9A
SCHEMBL8702974 0.71 DRD2 (0.53) UBE2MDCUN1D1CCR3RAB9ABCHE
SCHEMBL8547062 0.69 DRD2 (0.46) UBE2MDCUN1D1CCR3
SCHEMBL8707882 0.69 DRD2 (0.54)
SCHEMBL8552992 0.68 RAB9A (0.44) RAB9ABCHE
SCHEMBL8703834 0.68 DRD2 (0.46) UBE2MDCUN1D1BCHE
SCHEMBL7474419 0.67 HTR1D (0.59)

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