SCHEMBL12978419

SCHEMBL12978419

NCC1CCCc2cncn21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.58
CYP11B2 P19099 8/20 0.44
CYP11B1 P15538 3/20 0.44
KCNH2 Q12809 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
SCHEMBL11448858 0.83 CYP19A1 (0.58) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL11104201 0.72 CYP19A1 (0.61) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL10974976 0.71 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL10975948 0.71 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2
Hydrochloric Acid SCHEMBL11065811 0.70 CYP19A1 (0.58) CYP19A1CYP11B2
Hydrochloric Acid SCHEMBL10973284 0.70 CYP19A1 (0.58) CYP19A1CYP11B2
SCHEMBL15729571 0.66 ADRA1A (0.30)
SCHEMBL24810573 0.65 CYP19A1 (0.41) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL24810567 0.64 CYP19A1 (0.40) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL8845131 0.64 CYP19A1 (0.63) CYP19A1CYP11B2CYP11B1KCNH2

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-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed