SCHEMBL5210945

SCHEMBL5210945

Cc1ccccc1C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.67
KCNK3 O14649 3/20 0.58
KCNK9 Q9NPC2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ACKR3 P25106 1/20 0.51
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5208002 0.89 HTR1F (0.67) HTR1FKCNK3KCNK9ALDH1A1RAB9A
SCHEMBL5208984 0.88 HTR1F (0.66) HTR1FSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL5212569 0.88 HTR1F (0.66) HTR1FALDH1A1KMT2AMEN1
SCHEMBL5212584 0.88 HTR1F (0.72) HTR1FSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL14395097 0.87 HTR1F (0.78) HTR1FKMT2AMEN1ACKR3
SCHEMBL5216542 0.87 HTR1F (0.82) HTR1FKCNK3KCNK9RAB9APOLB
SCHEMBL5207832 0.86 HTR1F (0.67) HTR1FKCNK3KCNK9POLBKMT2A
SCHEMBL5209608 0.85 HTR1F (0.66) HTR1FKCNK3KCNK9ACKR3TP53
Oxalic Acid SCHEMBL5208197 0.85 HTR1F (0.79) HTR1FKCNK3KCNK9RAB9APOLB
SCHEMBL5212700 0.84 HTR1F (0.71) HTR1FSMN1; SMN2KMT2AMEN1ACKR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US disclosed
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO disclosed