SCHEMBL11445075

SCHEMBL11445075

COC(=O)C1CC(=O)n2c3c(c4ccccc42)CCNC31

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAPKAPK2 P49137 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CA1 P00915 1/20 0.34

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
SCHEMBL11455502 0.86 MAPKAPK2 (0.41) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL11445324 0.85 MAPKAPK2 (0.38) MAPKAPK2CA1CA2CA4CA7
SCHEMBL11463557 0.83 MEN1 (0.33) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL11453418 0.79 PDE1A (0.41) MEN1KMT2AHSD17B10CYP1A2CYP2D6
SCHEMBL10836067 0.71 HSD17B10 (0.50) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL11173309 0.71 HTR2A (0.39) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL11470919 0.69 HSD17B10 (0.57) MEN1KMT2AHSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL11469730 0.69 HSD17B10 (0.60) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL11070535 0.66 CYP3A4 (0.46) MEN1KMT2AHSD17B10HPGDCYP1A2
SCHEMBL10835113 0.65 PDE1A (0.47) MEN1KMT2AHSD17B10CYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4190657-A ANTI-ANOXIA AND PSYCHOTROPIC ACTIVITY SYNTHELABO (FR) 1980-02-26 — — US disclosed
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