SCHEMBL31412066

SCHEMBL31412066

CC(=O)NCc1ncncc1-c1nc2ccc(F)cc2n1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 19/20 0.56
▸ CYP11B1 P15538 13/20 0.56
▸ ADRB1 P08588 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 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
SCHEMBL20337693 1.00 CYP11B2 (0.56) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL31411975 0.84 CYP11B2 (0.77) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL20337634 0.84 CYP11B2 (0.77) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL20337681 0.82 CYP11B2 (0.64) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL31411964 0.82 CYP11B2 (0.64) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL20337743 0.82 CYP11B2 (0.63) CYP11B2CYP11B1CYP19A1
SCHEMBL20337628 0.82 CYP11B2 (0.63) CYP11B2CYP11B1CYP19A1
SCHEMBL20337637 0.82 CYP11B2 (0.76) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL31411947 0.82 CYP11B2 (0.76) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL20337726 0.80 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1

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-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 — — EP claimed
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