SCHEMBL11211803

SCHEMBL11211803

CCCCCCC1CCC2C[C@H](C(=O)Oc3ccc(C#N)cc3)CC[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.47
▸ POLB P06746 1/20 0.41
▸ GRM2 Q14416 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL11212591 1.00 MGLL (0.47) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11209166 1.00 MGLL (0.47) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11208072 1.00 MGLL (0.47) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11212590 1.00 MGLL (0.47) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11208069 1.00 MGLL (0.47) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11073582 0.99 MGLL (0.46) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11073584 0.99 MGLL (0.46) MGLLPOLBGRM2RXFP1PGR
SCHEMBL11211535 0.96 MGLL (0.46) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL11211533 0.96 MGLL (0.46) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL5687273 0.95 MGLL (0.45) MGLLPOLBGRM2RXFP1PGR

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-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 — — US disclosed
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