SCHEMBL9301828

SCHEMBL9301828

O=C(O)[C@@H](Cc1cccnc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.64
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.52
EPHX1 P07099 1/20 0.51
FDPS P14324 1/20 0.51
TBXAS1 P24557 2/20 0.51
EPHX2 P34913 1/20 0.51
CPA1 P15085 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7830186 1.00 CHRM1 (0.64) CHRM1KDM4ELMNAHPGDHTT
Hydrochloric Acid SCHEMBL28880680 0.89 P4HTM (0.58) CHRM1KDM4ELMNAHPGDHTT
SCHEMBL19031875 0.88 KDM4E (0.51) CHRM1KDM4ELMNAHPGDHTT
SCHEMBL27628032 0.86 CHRM1 (0.60) CHRM1LMNAHPGDHTTSMN1; SMN2
SCHEMBL6310886 0.85 CHRM1 (0.58) CHRM1KDM4ELMNAHPGDHTT
SCHEMBL599399 0.82 EPHX1 (0.71) CHRM1P4HTMEPHX1CPA1CYP1A2
SCHEMBL3079795 0.82 EPHX1 (0.71) CHRM1P4HTMEPHX1CPA1CYP1A2
SCHEMBL67234 0.82 EPHX1 (0.71) CHRM1P4HTMEPHX1CPA1CYP1A2
SCHEMBL7816162 0.81 CHRM1 (0.61) CHRM1LMNAHTTSMN1; SMN2P4HTM
SCHEMBL7816160 0.81 CHRM1 (0.61) CHRM1LMNAHTTSMN1; SMN2P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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