SCHEMBL8551739

SCHEMBL8551739

CC(C)(C)N1CCC(c2csc3ccc(NC(=O)c4cccc(-c5ccccc5)c4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
F2R P25116 1/20 0.42
CREBBP Q92793 3/20 0.42
RORC P51449 3/20 0.42
MCHR1 Q99705 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
MMP9 P14780 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
POLB P06746 1/20 0.39
PLAU P00749 1/20 0.39
FSHR P23945 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
NPC1 O15118 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
SCHEMBL30908872 0.83 HTR1D (0.58) RORCHTR1AHTR1DHTR1BHTR1F
SCHEMBL7485598 0.83 HTR1D (0.58) RORCHTR1AHTR1DHTR1BHTR1F
SCHEMBL8548029 0.82 DRD2 (0.46) F2RCREBBPRORCMCHR1NR1H4
SCHEMBL8550584 0.82 RAB9A (0.41) RORCHTR1AHTR1DHTR1BHTR1F
SCHEMBL8547605 0.81 RORC (0.45) RORCHTR1AHTR1DHTR1BHTR1F
SCHEMBL8551264 0.78 HTR1D (0.37) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL8547160 0.77 PNLIP (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL8549350 0.76 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8547821 0.76 HTR1D (0.44) RORCHTR1AHTR1DHTR1BHTR1F
SCHEMBL8551605 0.75 DRD2 (0.56) MCHR1MEN1KMT2ANPC1RAB9A

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