SCHEMBL8550072

SCHEMBL8550072

CCOc1ccc(NC(=O)Nc2ccc3occ(C4CCN(C(C)CC)CC4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
PAX8 Q06710 1/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL7482013 0.82 HTR1D (0.54) DRD2
SCHEMBL8548389 0.80 DRD2 (0.39) DRD2HTR2ADRD3
SCHEMBL8704542 0.80 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2DRD2
SCHEMBL8551668 0.78 P2RY1 (0.44) DRD2HTR2ADRD3
SCHEMBL8703766 0.77 UBE2M (0.44)
SCHEMBL8552340 0.77 DRD2 (0.47) MAPTKMT2AMEN1LMNADRD2
SCHEMBL8548767 0.76 UBE2M (0.52)
SCHEMBL8552207 0.75 DRD2 (0.41) DRD2HTR2ADRD3
SCHEMBL8552327 0.75 MRGPRX1 (0.42) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL8548755 0.75 CA2 (0.43) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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