SCHEMBL11835734

SCHEMBL11835734

CCc1ccc(N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ HTR1A P08908 7/20 0.63
▸ DRD2 P14416 7/20 0.63
▸ HTR2A P28223 6/20 0.63
▸ HTR6 P50406 6/20 0.63
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ RAD52 P43351 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ HTR7 P34969 6/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ DRD3 P35462 1/20 0.52

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
SCHEMBL11632287 0.86 HTR7 (0.70) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11631848 0.85 KDM4E (0.86) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11630456 0.85 HTR1A (0.71) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11631571 0.85 HTR1A (0.85) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11848610 0.81 KDM4E (0.64) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11629079 0.81 L3MBTL1 (0.51) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11842208 0.81 KDM4E (0.61) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11631929 0.79 HTR7 (0.82) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11843159 0.79 HTR1A (0.80) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL11838777 0.78 HTR7 (0.84) KDM4ELMNAMAPK1HTR1ADRD2

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-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 — — US disclosed
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