SCHEMBL8530746

SCHEMBL8530746

O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.62
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
APAF1 O14727 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
ITGB2 P05107 3/20 0.58
ICAM1 P05362 3/20 0.58
ITGAL P20701 3/20 0.58

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
SCHEMBL7834723 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL6299882 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8556324 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8530732 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8556329 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL6299885 1.00 ACE (0.62) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8157578 0.93 ALOX15 (0.60) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8157574 0.93 ALOX15 (0.60) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL8162589 0.90 ECE1 (0.55) ACEALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL6299926 0.90 ECE1 (0.55) ACEALOX15SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846973-A Methods of treating pulmonary hypertension ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
US-5744482-A Serotonin agonist in combination with a tachykinin receptor antagonist in the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-28 US disclosed