SCHEMBL10517262

SCHEMBL10517262

COc1ccccc1N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.76
ADRA1B P35368 3/20 0.72
ADRA1D P25100 2/20 0.72
ADRA1A P35348 2/20 0.72
MEN1 O00255 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
DRD2 P14416 1/20 0.72
THPO P40225 1/20 0.72
KMT2A Q03164 1/20 0.72
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71

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
SCHEMBL10521435 0.94 HTR1A (0.75) HTR1AADRA1BADRA1DADRA1AMEN1
Hydrochloric Acid SCHEMBL10517891 0.93 HTR1A (0.76) HTR1AADRA1BADRA1DADRA1AMEN1
SCHEMBL10658613 0.88 HTR1A (0.70) HTR1AADRA1BADRA1DADRA1AMEN1
Hydrochloric Acid SCHEMBL10519410 0.87 HTR1A (0.69) HTR1AADRA1BADRA1DADRA1AMEN1
SCHEMBL10519083 0.84 HTR1A (0.65) HTR1AADRA1BADRA1DADRA1AMEN1
Bmy-7378 SCHEMBL6017145 0.84 HTR1A (1.00) HTR1AADRA1BADRA1DADRA1AMEN1
Bmy-7378 SCHEMBL32690868 0.84 HTR1A (1.00) HTR1AADRA1BADRA1DADRA1AMEN1
SCHEMBL10519101 0.84 HTR1A (0.58) HTR1AADRA1B
Bmy-7378 SCHEMBL987183 0.83 HTR1A (1.00) HTR1AADRA1BADRA1DADRA1AMEN1
Hydrochloric Acid SCHEMBL10519883 0.82 HTR1A (0.56) HTR1AADRA1BADRA1DADRA1AALDH1A1

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-0333137-A1 Arylpiperazinylalkoxy derivatives of cyclic imides, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 EP disclosed
US-4826846-A ANALGESIC, ANTIPSYCHOTIC HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-05-02 US disclosed
US-4780466-A ANALGESICS, ANTIPSYCHOTIC AGENTS, ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-10-25 US disclosed