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Sugi Predict / Compounds / SCHEMBL14006554

SCHEMBL14006554

SCHEMBL14006554

Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CN/C(=N\C(=O)OC(C)C)N2CCC(c3ccncc3)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.64
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL14006561 0.94 GNRHR (0.61) GNRHRCYP3A4
SCHEMBL4869340 0.93 GNRHR (0.66) GNRHRCYP3A4
SCHEMBL4869348 0.93 GNRHR (0.66) GNRHRCYP3A4
SCHEMBL14006588 0.91 GNRHR (0.59) GNRHRCYP3A4
SCHEMBL4868762 0.91 GNRHR (0.59) GNRHRCYP3A4
SCHEMBL4868782 0.91 GNRHR (0.59) GNRHRCYP3A4
SCHEMBL14006596 0.88 GNRHR (0.69) GNRHRCYP3A4
SCHEMBL4869326 0.86 GNRHR (0.63) GNRHRCYP3A4
SCHEMBL4869320 0.86 GNRHR (0.63) GNRHRCYP3A4
SCHEMBL14034382 0.86 GNRHR (0.52) GNRHR

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
US-7449489-B2 Indolylalkylamino-methylidenecarbamate derivatives useful as GnRH antagonists ASTRAZENECA AB (SE) 2008-11-11 — — US disclosed