SCHEMBL13680712

SCHEMBL13680712

Cc1ccc(-c2cnc(N3CCCC3)nc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL13680708 0.88 CNR2 (0.48) POLBKDM4EAOC3CNR2
SCHEMBL13680722 0.86 TAAR1 (0.44) CYP1A2CYP2C19MAPTKDM4EALDH1A1
SCHEMBL13680715 0.75 TDP1 (0.42) POLBMAPTSMN1; SMN2CHRM2CHRM4
SCHEMBL13681018 0.73 SMN1; SMN2 (0.34) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13680718 0.72 ALDH1A1 (0.39) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13680711 0.72 ALDH1A1 (0.39) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL436107 0.70 POLB (0.47) POLBMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL24349671 0.70 PRKAB2 (0.60) NPY5RPOLBMAPTMAPK1OPRK1
SCHEMBL24349478 0.70 PRKAB2 (0.59) NPY5RPOLBMAPTMAPK1OPRK1
SCHEMBL13680700 0.69 MAP4K4 (0.41) POLBMAPTSMN1; SMN2KDM4EALDH1A1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed