SCHEMBL6816875

SCHEMBL6816875

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
HTR7 P34969 1/20 0.35
DRD1 P21728 2/20 0.34
DRD3 P35462 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL8162682 1.00 DRD2 (0.35) DRD2HTR7DRD1DRD3KMT2A
SCHEMBL6816417 0.86 DRD2 (0.35) DRD2HTR7DRD1DRD3KMT2A
SCHEMBL6933310 0.84 HTR1A (0.38) DRD2HTR1ASLC6A4TMEM97SIGMAR1
SCHEMBL6820490 0.84 TMEM97 (0.36) DRD1DRD3KMT2AMEN1RAB9A
SCHEMBL6930423 0.82 HTR6 (0.43) KMT2AMEN1TMEM97SIGMAR1HTR6
SCHEMBL4830529 0.82 KCNH2 (0.44) KCNH2TMEM97SIGMAR1LTA4H
SCHEMBL4837491 0.82 KCNH2 (0.44) KCNH2TMEM97SIGMAR1LTA4H
SCHEMBL7239524 0.73 DRD2 (0.43) DRD2DRD3KMT2AMEN1RAB9A
SCHEMBL6816670 0.73 DRD2 (0.48) DRD2DRD3TMEM97SIGMAR1
SCHEMBL8157601 0.73 DRD2 (0.48) DRD2DRD3TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 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
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-6159971-A Combination of a 5-HT reuptake inhibitor and a h5-HT1B anatagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed