SCHEMBL7302640

SCHEMBL7302640

CC(=CCO)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.60
CYP11B2 P19099 8/20 0.60
CYP19A1 P11511 10/20 0.56
CYP2A6 P11509 1/20 0.54
CYP2B6 P20813 1/20 0.54
TBXAS1 P24557 4/20 0.53
CYP1A2 P05177 2/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
QPCT Q16769 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
CYP17A1 P05093 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7302637 1.00 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7302635 1.00 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11485111 0.81 CYP19A1 (0.63) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL24713772 0.79 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL12639833 0.79 CYP19A1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.78 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10661787 0.76 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6302514 0.76 CYP19A1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.76 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11475999 0.76 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed