SCHEMBL7822281

SCHEMBL7822281

CC1(CC[C@H](C(=O)O)c2ccccc2)N=NN=N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.46
▸ GABRA1 P14867 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL30371912 0.75 CYP2C19 (0.61) CYP2C19TBXAS1SMN1; SMN2POLBCYP2D6
SCHEMBL19228532 0.72 CYP2C19 (0.53) CYP2C19TBXAS1SMN1; SMN2POLBCYP2D6
SCHEMBL643461 0.72 CYP2C19 (0.53) CYP2C19TBXAS1SMN1; SMN2POLBCYP2D6
SCHEMBL29757088 0.72 LMNA (0.59) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL65737 0.72 LMNA (0.59) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL20769804 0.72 LMNA (0.59) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL1715 0.72 LMNA (0.59) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL67237 0.72 LMNA (0.59) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
Hydrochloric Acid SCHEMBL16401889 0.71 CYP2C19 (0.52) CYP2C19TBXAS1SMN1; SMN2POLBCYP2D6
SCHEMBL1716620 0.71 POLB (0.53) CYP2C19TBXAS1SMN1; SMN2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 — — EP disclosed
Send feedback