SCHEMBL6924865

SCHEMBL6924865

COC(=O)c1ccc(N2CCNCC2C)c2c1OC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.36
BRD4 O60885 3/20 0.36
BRD1 O95696 2/20 0.36
BRPF3 Q9ULD4 1/20 0.36
HTR2C P28335 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
CREBBP Q92793 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6820427 0.85 HTR2C (0.34) BRPF1BRD4BRD1BRPF3HTR2C
SCHEMBL6930423 0.82 HTR6 (0.43) ALDH1A1HSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL6933310 0.71 HTR1A (0.38) ALDH1A1HTTLMNASLC6A4
SCHEMBL6820490 0.66 TMEM97 (0.36) BRD4ALDH1A1HTTLMNASLC6A2
SCHEMBL8162682 0.64 DRD2 (0.35) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6816875 0.64 DRD2 (0.35) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6816417 0.64 DRD2 (0.35) ALDH1A1HTTLMNAHTR2ASLC6A2
SCHEMBL6931978 0.62 RAD52 (0.38) HTR2CHTR2AHTR2B
SCHEMBL6931982 0.62 RAD52 (0.38) HTR2CHTR2AHTR2B
SCHEMBL6931976 0.62 RAD52 (0.38) HTR2CHTR2AHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-6387899-B1 ANTISEROTONINE AGENTS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2002-05-14 US disclosed
US-6384225-B1 5-PIPERIDINYL- OR PIPERAZINYL-SUBSTITUTED 3,4-DIHYDRO-2H-1-BENZOPYRANS ASTRAZENECA AB (SE) 2002-05-07 US disclosed