SCHEMBL8551266

SCHEMBL8551266

CCCCOC(=O)Nc1ccc2oc(CCC)c(C3CCN(CCC)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
EGFR P00533 2/20 0.41

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
SCHEMBL8552992 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL7487964 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL8703742 0.72 DCUN1D1 (0.45) RAB9ANPC1KDM4EKMT2A
SCHEMBL8549865 0.69 DRD2 (0.44) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL8548733 0.69 DCUN1D1 (0.41) SMN1; SMN2NPSR1
SCHEMBL8548550 0.69 DRD2 (0.48) SMN1; SMN2HPGDKDM4EALDH1A1CYP1A2
SCHEMBL8381703 0.69 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL10156184 0.68 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10157334 0.68 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL8546574 0.68 CHRNA7 (0.42) RAB9ANPC1SMN1; SMN2HPGDKDM4E

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