SCHEMBL11113064

SCHEMBL11113064

CCc1ccc2c(c1)C(N1CCN(CCN)CC1)c1ccccc1CO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
P2RX7 Q99572 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SMPD1 P17405 2/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
DRD1 P21728 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
SCHEMBL11111188 0.89 ALDH1A1 (0.41)
SCHEMBL11151324 0.89 DRD2 (0.38) DRD2SMPD1DRD1
SCHEMBL11116042 0.87 P2RX7 (0.36) P2RX7SIGMAR1DRD1
SCHEMBL11115905 0.85 DRD2 (0.37) DRD2P2RX7KCNH2DRD1
SCHEMBL11112033 0.76 MEN1 (0.39)
SCHEMBL10616119 0.75 AKR1B1 (0.48)
SCHEMBL9468186 0.75 P2RX7 (0.53) DRD2P2RX7SIGMAR1SMPD1DRD1
SCHEMBL11117418 0.74 MAPT (0.46) DRD2KCNH2
SCHEMBL11155380 0.73 DRD1 (0.39) DRD2DRD1
SCHEMBL10922047 0.73 CHRM5 (0.40) DRD2SMPD1

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-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed