SCHEMBL30744890

SCHEMBL30744890

CN1CCN(c2nc(C(=O)O)cc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
HRH4 Q9H3N8 2/20 0.54
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR6 P50406 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3623818 0.88 KDM4E (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30744781 0.83 HTR2C (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30744833 0.83 KDM4E (0.55) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744836 0.82 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744797 0.79 KDM4E (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744858 0.78 KDM4E (0.42) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744888 0.77 PRKDC (0.46) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744932 0.77 ALOX15 (0.47) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL30744894 0.77 CHEK2 (0.42) HTR3ACSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL30744790 0.77 KDM4E (0.41) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed