SCHEMBL8201174

SCHEMBL8201174

O=C(O)CCOCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.58
NAPRT Q6XQN6 1/20 0.57
HSD11B1 P28845 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7551477 0.86 HSD11B1 (0.48) TBXAS1NAPRTHSD11B1LMNAKMT2A
SCHEMBL361358 0.83 NAPRT (0.61) TBXAS1NAPRTHSD11B1LMNAKMT2A
SCHEMBL10675204 0.83 TBXAS1 (0.70) TBXAS1NAPRTTDP1
Hydrochloric Acid SCHEMBL8017516 0.82 NAPRT (0.59) TBXAS1NAPRTHSD11B1LMNAKMT2A
SCHEMBL508419 0.81 TSHR (0.56) LMNAKMT2ATDP1FFAR1MAPT
SCHEMBL23748572 0.80 PTAFR (0.54) NAPRTHSD11B1LMNAKMT2ATDP1
SCHEMBL149174 0.80 HSD11B1 (0.47) NAPRTHSD11B1LMNAKMT2ATDP1
SCHEMBL146442 0.80 HSD11B1 (0.47) NAPRTHSD11B1KDM4ECYP1A2CYP17A1
SCHEMBL29469530 0.80 HSD11B1 (0.47) NAPRTHSD11B1KDM4ECYP1A2CYP17A1
SCHEMBL10615037 0.79 TBXAS1 (0.56) TBXAS1NAPRTLMNAKMT2ATDP1

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-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed