SCHEMBL8552992

SCHEMBL8552992

CCCCOC(=O)Nc1ccc2sc(CCC)c(C3CCN(CCC)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
SMN1; SMN2 Q16637 9/20 0.44
HPGD P15428 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL8551266 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7487964 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8553059 0.70 DRD2 (0.42) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8553525 0.68 DRD2 (0.43) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8549604 0.68 UBE2M (0.41) RAB9ABCHE
SCHEMBL8548376 0.68 DRD2 (0.42) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10156184 0.68 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10157334 0.68 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8381703 0.66 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL17340327 0.66 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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