SCHEMBL5212285

SCHEMBL5212285

CN1CCC(C(=O)c2cccc(NC(=O)NC3CCCCC3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
ALOX15 P16050 1/20 0.68
HTR1F P30939 1/20 0.61
RAB9A P51151 9/20 0.59
NPC1 O15118 9/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
EPHX2 P34913 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
EPHX1 P07099 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.51
CXCR3 P49682 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL5215660 0.86 HTR1F (0.60) PKMALOX15HTR1FNPC1SMN1; SMN2
SCHEMBL5214917 0.84 HTR1F (0.67) PKMALOX15HTR1FEPHX2MEN1
SCHEMBL5215939 0.84 HTR1F (0.67) HTR1FEPHX2MEN1KMT2AGAA
SCHEMBL5211976 0.84 HTR1F (0.64) HTR1FSMN1; SMN2MEN1KMT2A
SCHEMBL5210817 0.82 HTR1F (0.65) HTR1FRAB9ANPC1KMT2A
SCHEMBL14395081 0.82 HTR1F (0.70) HTR1FMEN1KMT2AALDH1A1
SCHEMBL4962264 0.81 PKM (1.00) PKMALOX15RAB9ANPC1SMN1; SMN2
SCHEMBL5216477 0.81 HTR1F (0.64) HTR1FRAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5214297 0.81 HTR1F (0.64) HTR1FRAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5211786 0.81 HTR1F (0.73) HTR1FRAB9ANPC1EPHX2MEN1

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 5 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
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