SCHEMBL18871773

SCHEMBL18871773

CC(=O)N1CCCc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.54
▸ HRH3 Q9Y5N1 10/20 0.49
▸ RORC P51449 1/20 0.49
▸ CYP11B1 P15538 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.43

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
SCHEMBL18871772 0.85 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1HPGD
SCHEMBL18871839 0.84 HRH3 (0.55) HRH3SMN1; SMN2
SCHEMBL18872002 0.82 CYP11B2 (0.49) CYP11B2RORCCYP11B1SMN1; SMN2ALDH1A1
SCHEMBL20429089 0.78 CYP11B2 (0.52) CYP11B2RORCCYP11B1ALDH1A1HPGD
SCHEMBL18871988 0.76 FYN (0.45) CYP11B2CYP11B1ALDH1A1
SCHEMBL15450340 0.75 HRH3 (0.49) HRH3SMN1; SMN2ALDH1A1
SCHEMBL5427259 0.75 ALDH1A1 (0.54) CYP11B2CYP11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5458241 0.74 HRH3 (0.58) HRH3SMN1; SMN2
SCHEMBL20288815 0.74 CYP11B2 (0.50) CYP11B2CYP11B1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15437438 0.74 HRH3 (0.49) HRH3SMN1; SMN2ALDH1A1

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
EP-3168213-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-08-01 — — EP disclosed
EP-3168213-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2017-05-17 — — EP disclosed
Send feedback