SCHEMBL11630691

SCHEMBL11630691

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1B P35368 2/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR7 P34969 6/20 0.45
▸ HTR1A P08908 5/20 0.45
▸ DRD2 P14416 5/20 0.45
▸ HTR2A P28223 5/20 0.45

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
SCHEMBL11631804 0.90 L3MBTL1 (0.59) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11629224 0.90 DRD2 (0.56) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11629079 0.88 L3MBTL1 (0.51) KDM4EMAPK1LMNAL3MBTL1MEN1
SCHEMBL11631256 0.87 HTR1A (0.62) KDM4ELMNAL3MBTL1ALDH1A1MAPT
SCHEMBL11636824 0.86 L3MBTL1 (0.49) KDM4EMAPK1LMNAL3MBTL1MAPT
SCHEMBL11632645 0.85 L3MBTL1 (0.50) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11631902 0.84 L3MBTL1 (0.49) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11630627 0.84 HTR7 (0.61) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11635336 0.84 HTR7 (0.58) KDM4EMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL11635491 0.83 HTR7 (0.59) ADRA1AADRA1BADRA1DHTR7HTR1A

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-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
Send feedback