SCHEMBL11629079

SCHEMBL11629079

CCc1ccc(N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTR1A P08908 6/20 0.46
▸ DRD2 P14416 6/20 0.46
▸ HTR2A P28223 6/20 0.46
▸ HTR6 P50406 6/20 0.46
▸ HTR7 P34969 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ RAD52 P43351 1/20 0.40

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 0.89 L3MBTL1 (0.59) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11630691 0.88 KDM4E (0.61) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11629224 0.88 DRD2 (0.56) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11631256 0.87 HTR1A (0.62) L3MBTL1LMNAKDM4EHTR1ADRD2
SCHEMBL11636824 0.84 L3MBTL1 (0.49) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11632645 0.84 L3MBTL1 (0.50) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11635336 0.82 HTR7 (0.58) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11630627 0.82 HTR7 (0.61) L3MBTL1LMNAKDM4EMAPK1HTR1A
SCHEMBL11835734 0.81 KDM4E (0.65) LMNAKDM4EMAPK1HTR1ADRD2
SCHEMBL11634483 0.81 DRD4 (0.44) L3MBTL1LMNAKDM4EMAPK1HTR1A

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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