SCHEMBL8548376

SCHEMBL8548376

CCN1CCC(c2cc3cc(NC(=O)OCCCCOC)ccc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
BCHE P06276 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL8546574 0.80 CHRNA7 (0.42) BCHENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7483734 0.77 ALDH1A1 (0.42) DRD2SLC6A4BCHENPC1RAB9A
Phosphoric Acid SCHEMBL7867952 0.75 DRD2 (0.45) DRD2SLC6A4RECQL
SCHEMBL7012403 0.70 HTR1F (0.42) TP53
Phosphoric Acid SCHEMBL7867446 0.68 SLC6A4 (0.44) DRD2SLC6A4RECQL
SCHEMBL8552992 0.68 RAB9A (0.44) BCHENPC1RAB9ASMN1; SMN2CYP1A2
Oxalic Acid SCHEMBL7866271 0.68 DRD2 (0.46) DRD2SLC6A4
SCHEMBL7012394 0.65 ALDH1A1 (0.38) DRD2SLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL13387474 0.64 RAB9A (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL1889475 0.64 HDAC1 (0.60) NPC1RAB9AMAPTCASP3SENP8

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