SCHEMBL5207832

SCHEMBL5207832

COc1ccccc1C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.67
KCNK3 O14649 7/20 0.61
KCNK9 Q9NPC2 7/20 0.61
MAPK1 P28482 1/20 0.56
GRM5 P41594 1/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.53
ACKR3 P25106 1/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL5212394 0.88 HTR1F (0.65) HTR1FKCNK3KCNK9KMT2AACKR3
SCHEMBL5208002 0.86 HTR1F (0.67) HTR1FKCNK3KCNK9KMT2APOLB
SCHEMBL5210945 0.86 HTR1F (0.67) HTR1FKCNK3KCNK9KMT2APOLB
SCHEMBL5208984 0.85 HTR1F (0.66) HTR1FKMT2A
SCHEMBL5212584 0.85 HTR1F (0.72) HTR1FKMT2APOLBACKR3
SCHEMBL5212569 0.85 HTR1F (0.66) HTR1FMAPK1KMT2ARXFP1
SCHEMBL5216542 0.84 HTR1F (0.82) HTR1FKCNK3KCNK9MAPK1KMT2A
SCHEMBL5216264 0.84 HTR1F (0.71) HTR1FKCNK3KCNK9MAPK1KMT2A
SCHEMBL5215772 0.83 HTR1F (0.76) HTR1FKCNK3KCNK9MAPK1KMT2A
SCHEMBL5209608 0.82 HTR1F (0.66) HTR1FKCNK3KCNK9ACKR3RXFP1

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