SCHEMBL9749856

SCHEMBL9749856

CCOC(=O)Oc1cc2c(CCN)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.45
LTA4H P09960 2/20 0.45
PLA2G2A P14555 2/20 0.45
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SRD5A2 P31213 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
HTR6 P50406 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL9749833 0.87 SRD5A2 (0.39) TRPM8PTGER1PTGER4PTGER3PTGER2
SCHEMBL9749326 0.82 KDM4E (0.40) KDM4EMAPTFFAR4SRD5A2GABRA1
SCHEMBL10925785 0.78 SRD5A2 (0.46) PTGER1MAPTSRD5A2GABRA1GABRG2
SCHEMBL9749890 0.76 MAPT (0.47) KDM4EMAPT
SCHEMBL10926951 0.74 MAPT (0.35) KDM4EMAPTSRD5A2GABRA1GABRG2
SCHEMBL3589234 0.74 TRPM8 (0.57) TRPM8LTA4HPLA2G2AKDM4EMAPT
SCHEMBL10926398 0.72 L3MBTL1 (0.46) TRPM8LTA4HPLA2G2APTGER1KDM4E
SCHEMBL9749300 0.72 SRD5A2 (0.41) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL9749973 0.70 LTA4H (0.68) TRPM8LTA4HPLA2G2AKDM4EMAPT
SCHEMBL18886838 0.69 ALDH1A1 (0.61) TRPM8KDM4EMAPTSRD5A2GABRA1

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 3 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 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