SCHEMBL7963376

SCHEMBL7963376

CCCCCCN1CC2C(C1)C2(C)c1ccc([N+](=O)[O-])c([AsH2])c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
TXNRD1 Q16881 4/20 0.34
GSR P00390 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GUSB P08236 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5756228 0.87 MAPT (0.42) OPRM1TXNRD1GSRKMT2ATDP1
SCHEMBL5755781 0.81 KMT2A (0.37) OPRM1KDM4EKMT2A
SCHEMBL5754892 0.76 OPRM1 (0.40) OPRM1KDM4EGUSBEBPSIGMAR1
SCHEMBL5758740 0.72 KDM1A (0.42) OPRM1SIGMAR1
SCHEMBL5751667 0.72 OPRM1 (0.46) OPRM1KDM4E
SCHEMBL5752933 0.72 DRD3 (0.57) OPRM1
SCHEMBL5754428 0.72 OPRM1 (0.46) OPRM1
SCHEMBL5753482 0.70 ALDH1A1 (0.40) KDM4ETDP1SIGMAR1
SCHEMBL5755049 0.70 NPSR1 (0.41) OPRM1SIGMAR1
SCHEMBL5755872 0.70 ALDH1A1 (0.42) SIGMAR1

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-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed