SCHEMBL11494331

SCHEMBL11494331

CC(CCn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.68
CYP17A1 P05093 3/20 0.56
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
QPCT Q16769 3/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11492274 0.88 CYP19A1 (0.63) CYP19A1CYP17A1CYP11B1CYP11B2LMNA
SCHEMBL11495720 0.87 CYP19A1 (0.61) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11494320 0.86 CYP19A1 (0.54) CYP19A1CYP17A1CYP11B1CYP11B2QPCT
SCHEMBL11492519 0.86 HMOX1 (0.59) CYP19A1CYP11B1CYP11B2LMNASMN1; SMN2
SCHEMBL11487555 0.86 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2LMNASMN1; SMN2
SCHEMBL11494372 0.83 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2QPCT
SCHEMBL5758394 0.81 CYP19A1 (0.53) CYP19A1CYP17A1QPCTLMNASMN1; SMN2
SCHEMBL28164874 0.79 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2LMNASMN1; SMN2
SCHEMBL11496005 0.79 CYP19A1 (0.51) CYP19A1LMNASMN1; SMN2
SCHEMBL11633201 0.78 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2QPCT

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-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed