SCHEMBL11073093

SCHEMBL11073093

CCCCn1c(CCN2CCN(c3ccccc3)CC2)nc2c(Br)cc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.42
HTR1A P08908 5/20 0.42
HTR7 P34969 3/20 0.42
HTR2A P28223 1/20 0.41
TLR7 Q9NYK1 2/20 0.41
TLR8 Q9NR97 1/20 0.41
PARP1 P09874 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TNF P01375 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL11073097 0.83 ALDH1A1 (0.47) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL11065358 0.82 TSHR (0.49) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL11070029 0.79 HTR1A (0.48) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL11060823 0.77 TLR8 (0.54) ALDH1A1LMNASIGMAR1DRD2DRD3
SCHEMBL155128 0.69 SIGMAR1 (0.79) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL11069704 0.69 HTR1A (0.50) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL10601141 0.69 PDE10A (0.55) ALDH1A1TSHRHTTSIGMAR1DRD2
SCHEMBL11063723 0.67 PARP1 (0.42) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL11059735 0.67 SIGMAR1 (0.53) ALDH1A1TSHRSMN1; SMN2SIGMAR1DRD2
SCHEMBL7594226 0.66 KCNH2 (0.79) LMNASIGMAR1DRD2DRD3HTR1A

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-0034249-B1 NEW NAPHTHIMIDAZOLE AND NAPHTHOXAZOLE DERIVATIVES, THEIR PREPARATION, AND THEIR USE IN PHARMACEUTICALS GRUPPO LEPETIT S.P.A. (IT) 1984-10-24 EP disclosed
US-4461894-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1984-07-24 US disclosed
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed
EP-0034249-A2 New naphthimidazole and naphthoxazole derivatives, their preparation, and their use in pharmaceuticals GRUPPO LEPETIT S.P.A. (IT) 1981-08-26 EP disclosed