SCHEMBL7868031

SCHEMBL7868031

CCN1CC=C(c2[nH]c3ccc(C#N)cc3c2OC(=O)C(=O)Oc2c(C3=CCN(CC)CC3)[nH]c3ccc(C#N)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
SLC6A4 P31645 1/20 0.41
HTR1A P08908 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
PARP1 P09874 1/20 0.38
ALK Q9UM73 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
HTR1F P30939 1/20 0.36

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
SCHEMBL7868005 0.93 HTR6 (0.41) HTR6SLC6A4HTR1AKDM4ELMNA
SCHEMBL7867413 0.81 KDM4E (0.39) HTR6KDM4ELMNAALOX15PARP1
SCHEMBL7866250 0.79 KDM4E (0.41) HTR6KDM4ELMNAALOX15MAPT
SCHEMBL7865108 0.75 HRH3 (0.45) SLC6A4HTR1AL3MBTL1
Oxalic Acid SCHEMBL7867306 0.74 SLC6A4 (0.66) HTR6SLC6A4HTR1AKDM4ELMNA
Oxalic Acid SCHEMBL7868026 0.74 CYP19A1 (0.44) HTR6SLC6A4PARP1ALKHTR1F
Oxalic Acid SCHEMBL7867999 0.72 DRD2 (0.41) HTR6SLC6A4KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7865005 0.71 KDM4E (0.59) HTR6SLC6A4HTR1AKDM4ELMNA
SCHEMBL7859767 0.71 HTR6 (0.42) HTR6HTR1AKDM4ELMNAALOX15
SCHEMBL7867440 0.69 HRH3 (0.45) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed