SCHEMBL9749833

SCHEMBL9749833

CCOC(=O)Oc1cc2c(CC[N+](=O)[O-])ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.39
SRD5A1 P18405 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
CYP19A1 P11511 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9749856 0.87 TRPM8 (0.45) SRD5A2PTGER1PTGER4PTGER3PTGER2
SCHEMBL9749300 0.86 SRD5A2 (0.41) SRD5A2SRD5A1PTGER1PTGER4PTGER3
SCHEMBL9749890 0.81 MAPT (0.47) CYP19A1ALDH1A1LMNAPOLBHTT
SCHEMBL9749326 0.79 KDM4E (0.40) SRD5A2FFAR4GABRA1GABRG2GABRB3
SCHEMBL10925785 0.75 SRD5A2 (0.46) SRD5A2SRD5A1PTGER1GABRA1GABRG2
SCHEMBL9749866 0.73 LTA4H (0.46) TRPM8ALDH1A1LMNAPOLBHTT
SCHEMBL10926951 0.73 MAPT (0.35) SRD5A2SRD5A1GABRA1GABRG2GABRB3
SCHEMBL10926398 0.70 L3MBTL1 (0.46) SRD5A2PTGER1TRPM8GABRA1GABRG2
SCHEMBL10927491 0.69 SMN1; SMN2 (0.34) SRD5A2SRD5A1TRPM8GABRA1GABRG2
SCHEMBL18886838 0.66 ALDH1A1 (0.61) SRD5A2TRPM8GABRA1GABRG2GABRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP claimed
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
EP-0266349-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES. SCHERING AG (DE) 1988-05-11 EP disclosed
WO-1987000522-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1987-01-29 WO disclosed