SCHEMBL4082302

SCHEMBL4082302

COCCN1C=C(Cl)SC1NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HSD11B1 P28845 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CNR2 P34972 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36

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
SCHEMBL5044110 0.67 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TSHRNPSR1
SCHEMBL964566 0.64 CNR1 (0.42) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL6891227 0.64 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1TSHRNPSR1
SCHEMBL4082300 0.62 CNR2 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL967095 0.62 CNR2 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL966037 0.62 CNR2 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL967097 0.62 CNR2 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL963095 0.62 CNR2 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL5858380 0.60 MEN1 (0.57) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL1056100 0.59 KMT2A (0.39) KMT2AALDH1A1CNR2NPSR1CNR1

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
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 — — EP disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 — — WO disclosed
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