SCHEMBL7827149

SCHEMBL7827149

O=C(O)C(CCn1cccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
TBXAS1 P24557 2/20 0.51
CYP19A1 P11511 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7827152 1.00 TSHR (0.53) TSHRTBXAS1CYP19A1CYP1A1CYP2C19
SCHEMBL27668083 0.80 TSHR (0.66) TSHRTBXAS1CYP19A1CYP1A1HTT
SCHEMBL7815541 0.78 CYP19A1 (0.51) TSHRTBXAS1CYP19A1LMNAKMT2A
SCHEMBL7815542 0.78 CYP19A1 (0.51) TSHRTBXAS1CYP19A1LMNAKMT2A
SCHEMBL27841918 0.76 TSHR (0.44) TSHRTBXAS1HTTKDM5AKDM2B
SCHEMBL5322003 0.74 ARG1 (0.44) TSHRHTTKDM5AKDM2BKDM4C
SCHEMBL15208660 0.74 ARG1 (0.44) TSHRHTTKDM5AKDM2BKDM4C
SCHEMBL30371912 0.74 CYP2C19 (0.61) TBXAS1CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL19228532 0.71 CYP2C19 (0.53) TBXAS1CYP2C19LMNASMN1; SMN2
SCHEMBL643461 0.71 CYP2C19 (0.53) TBXAS1CYP2C19LMNASMN1; SMN2

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-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed