SCHEMBL7859754

SCHEMBL7859754

CCN1CC=C(c2cc3cc(C#N)ccc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.36
DRD3 P35462 6/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A4 P31645 1/20 0.35
HTR6 P50406 2/20 0.35
PARP1 P09874 2/20 0.35
DRD4 P21917 5/20 0.34
HRH3 Q9Y5N1 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
Oxalic Acid SCHEMBL7867529 0.85 CHRNA7 (0.38) KDM4ELMNAALOX15PARP1
Cadaverine Tartrate SCHEMBL7866256 0.73 HTR1F (0.35) DRD2DRD3KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7870914 0.72 KMT2A (0.45) KDM4ELMNAALOX15HTR6
Cadaverine Tartrate SCHEMBL8819052 0.71 HDAC6 (0.48)
Oxalic Acid SCHEMBL7865118 0.71 KMT2A (0.45) KDM4ELMNAALOX15
Oxalic Acid SCHEMBL7865012 0.71 SLC6A4 (0.40) DRD2KDM4ELMNAALOX15SLC6A4
Oxalic Acid SCHEMBL7868026 0.70 CYP19A1 (0.44) DRD2DRD3SLC6A4HTR6PARP1
Oxalic Acid SCHEMBL7867561 0.69 HTR1D (0.40) DRD2KDM4ELMNAALOX15SLC6A4
Oxalic Acid SCHEMBL7867999 0.68 DRD2 (0.41) DRD2DRD3KDM4ELMNAALOX15
SCHEMBL7868005 0.66 HTR6 (0.41) KDM4ELMNAALOX15SLC6A4HTR6

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 5 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
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO 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