SCHEMBL7390282

SCHEMBL7390282

Cc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.77
HTR3A P46098 6/20 0.74

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
SCHEMBL7386042 0.87 HTR3A (0.75) SOS1HTR3A
SCHEMBL14498813 0.87 SOS1 (1.00) SOS1HTR3A
SCHEMBL7393070 0.86 HTR3A (0.73) SOS1HTR3A
SCHEMBL7384368 0.86 HTR3A (0.74) SOS1HTR3A
Lerisetron SCHEMBL30669539 0.85 HTR3A (1.00) SOS1HTR3A
Lerisetron SCHEMBL141124 0.85 HTR3A (1.00) SOS1HTR3A
Lerisetron SCHEMBL29040939 0.84 HTR3A (0.97) SOS1HTR3A
SCHEMBL7395580 0.83 SOS1 (0.76) SOS1HTR3A
SCHEMBL7398859 0.81 HTR3A (0.66) SOS1HTR3A
SCHEMBL14498818 0.79 HTR3A (0.73) SOS1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP claimed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP disclosed
US-5672604-A SEROTONIN RECEPTOR ANTAGONISTS FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS (FAES) (ES) 1997-09-30 US disclosed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP disclosed