SCHEMBL11634483

SCHEMBL11634483

Cc1ccc(N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3O)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.44
▸ DRD2 P14416 12/20 0.43
▸ HTR1A P08908 9/20 0.43
▸ HTR2A P28223 9/20 0.43
▸ HTR6 P50406 9/20 0.43
▸ HTR7 P34969 8/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD1 P21728 1/20 0.38

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
SCHEMBL11630154 0.90 HTR1A (0.47) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11635491 0.85 HTR7 (0.59) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11630691 0.82 KDM4E (0.61) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11631804 0.81 L3MBTL1 (0.59) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11629079 0.81 L3MBTL1 (0.51) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11629224 0.80 DRD2 (0.56) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11632645 0.80 L3MBTL1 (0.50) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11631256 0.80 HTR1A (0.62) DRD4DRD2HTR1AHTR2AHTR6
SCHEMBL11636824 0.77 L3MBTL1 (0.49) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL11630627 0.75 HTR7 (0.61) DRD4DRD2HTR1AHTR2AHTR6

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
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