SCHEMBL11814435

SCHEMBL11814435

O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.57
▸ DRD2 P14416 7/20 0.57
▸ HTR2A P28223 6/20 0.57
▸ HTR6 P50406 6/20 0.57
▸ HTR7 P34969 5/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PABPC1 P11940 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HEXA P06865 2/20 0.47

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
SCHEMBL11631627 0.86 DRD2 (0.57) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11808234 0.85 KDM4E (0.65) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11812529 0.85 DRD2 (0.57) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11810138 0.85 HTR7 (0.59) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11807263 0.85 HTR7 (0.59) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11806208 0.83 KDM4E (0.57) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11803788 0.81 KDM4E (0.52) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11806654 0.80 DRD2 (0.56) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11804698 0.80 HTR1A (0.56) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11631631 0.79 L3MBTL1 (0.46) HTR1ADRD2HTR2AHTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 — — US disclosed
Send feedback