SCHEMBL11636284

SCHEMBL11636284

COc1ccccc1N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.63
▸ DRD3 P35462 3/20 0.63
▸ HTR1A P08908 3/20 0.62
▸ HTR7 P34969 2/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ HTR6 P50406 1/20 0.62
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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
SCHEMBL11628968 0.86 DRD2 (0.58) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11631256 0.83 HTR1A (0.62) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11631804 0.83 L3MBTL1 (0.59) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11628469 0.82 L3MBTL1 (0.47) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11634429 0.81 L3MBTL1 (0.46) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11632693 0.81 DRD2 (0.88) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11630691 0.80 KDM4E (0.61) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11632015 0.79 HTR7 (0.60) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL11633309 0.79 RAD52 (0.49) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL11635081 0.79 L3MBTL1 (0.56) MAPTMEN1KMT2AALDH1A1ADRA1D

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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