SCHEMBL6933310

SCHEMBL6933310

CN1CCN(c2ccc(C(N)=O)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.38
SLC6A4 P31645 4/20 0.38
HTR6 P50406 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STAT6 P42226 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL6930423 0.89 HTR6 (0.43) HTR6TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL6820490 0.85 TMEM97 (0.36) HTR1ASLC6A4HTR6TMEM97SIGMAR1
SCHEMBL6816875 0.84 DRD2 (0.35) HTR1ASLC6A4HTR6TMEM97SIGMAR1
SCHEMBL8162682 0.84 DRD2 (0.35) HTR1ASLC6A4HTR6TMEM97SIGMAR1
SCHEMBL6816417 0.83 DRD2 (0.35) HTR1ASLC6A4HTR6TMEM97SIGMAR1
SCHEMBL8064360 0.80 ALDH1A1 (0.38) HTR1ASLC6A4ALDH1A1KDM4EHSD17B10
SCHEMBL6930432 0.78 ALDH1A1 (0.43) HTR1AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL6930424 0.78 ALDH1A1 (0.43) HTR1AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL4830529 0.77 KCNH2 (0.44) TMEM97SIGMAR1
SCHEMBL4837491 0.77 KCNH2 (0.44) TMEM97SIGMAR1

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