SCHEMBL5214770

SCHEMBL5214770

Cc1ccc(C(=O)Nc2cccc(C(=O)C3CCN(C)CC3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 11/20 0.81
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACKR3 P25106 1/20 0.51
MGLL Q99685 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5216542 0.91 HTR1F (0.82) HTR1FNPC1RAB9AMEN1KMT2A
SCHEMBL14395095 0.91 HTR1F (0.81) HTR1FMEN1KMT2AMGLLPOLB
SCHEMBL5208639 0.91 HTR1F (0.73) HTR1FNPC1RAB9AMEN1KMT2A
SCHEMBL5210537 0.89 HTR1F (1.00) HTR1FMEN1KMT2A
Hydrochloric Acid SCHEMBL5213861 0.89 HTR1F (0.79) HTR1FMEN1KMT2AMGLLPOLB
SCHEMBL5216275 0.89 HTR1F (0.79) HTR1FACKR3MGLL
SCHEMBL5213270 0.89 HTR1F (0.79) HTR1FNPC1RAB9AMEN1KMT2A
SCHEMBL5212810 0.89 HTR1F (0.79) HTR1FMEN1KMT2APOLB
SCHEMBL30908870 0.89 HTR1F (1.00) HTR1FMEN1KMT2A
Oxalic Acid SCHEMBL5208197 0.89 HTR1F (0.79) HTR1FNPC1RAB9AMEN1KMT2A

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