SCHEMBL31010894

SCHEMBL31010894

O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CC2CCCC21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ KDR P35968 9/20 0.42
▸ BRAF P15056 4/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL24516620 0.81 AR (0.46) ARGRM4KDRBRAFKMT2A
SCHEMBL24516621 0.81 AR (0.46) ARGRM4KDRBRAFKMT2A
SCHEMBL26613003 0.80 AR (0.48) ARGRM4KDRBRAFNPY5R
SCHEMBL24515714 0.80 AR (0.51) ARGRM4KDRBRAFKMT2A
SCHEMBL31627181 0.80 L3MBTL1 (0.56) ARGRM4KDRBRAFKMT2A
SCHEMBL31135568 0.80 L3MBTL1 (0.56) ARGRM4KDRBRAFKMT2A
Hydrochloric Acid SCHEMBL26613248 0.80 AR (0.45) ARGRM4KDRBRAFKMT2A
Bromide SCHEMBL30638609 0.79 AR (0.47) ARGRM4KDRBRAFNPY5R
SCHEMBL24515710 0.78 AR (0.46) ARGRM4KDRBRAFKMT2A
SCHEMBL26696301 0.78 AR (0.46) ARGRM4KDRBRAFKMT2A

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
CN-118434712-A Bicyclo [3.2.0] heptane bis (amide) RXFP1 agonists 百时美施贵宝公司 2024-08-02 — — CN disclosed
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