SCHEMBL8200733

SCHEMBL8200733

[NH]CCOCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNA7 P36544 2/20 0.44
HSD11B1 P28845 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
CYP2A6 P11509 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL493020 0.84 CYP1A2 (0.56) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL27794086 0.82 CYP1A2 (0.54) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL29469530 0.81 HSD11B1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2565875 0.81 CHRNA7 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL10263928 0.81 TDP1 (0.53) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL146442 0.81 HSD11B1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL149174 0.81 HSD11B1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL13630753 0.80 CYP1A2 (0.52) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL22520043 0.80 CHRM2 (0.51) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7546154 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP claimed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US claimed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP claimed
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