SCHEMBL7786744

SCHEMBL7786744

COc1ccccc1N1CCN(C[C@H](N)Cc2cn(C)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.52
HTR1A P08908 4/20 0.52
LMNA P02545 5/20 0.49
MAPT P10636 5/20 0.49
DRD2 P14416 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX15 P16050 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADRA1D P25100 5/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL7793671 0.79 ADRA1D (0.62) HTR1AMAPTDRD2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7029024 0.78 ADRA1D (0.61) HTR1AMAPTDRD2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7029018 0.78 ADRA1D (0.61) HTR1AMAPTDRD2ADRA1DADRA1A
SCHEMBL7796778 0.77 HTR1A (0.53) HTR7HTR1ALMNADRD2SMN1; SMN2
Hydrochloric Acid SCHEMBL7536565 0.76 HTR1A (0.52) HTR7HTR1ALMNADRD2SMN1; SMN2
SCHEMBL7536579 0.76 HTR1A (0.56) HTR7HTR1AMAPTDRD2KDM4E
SCHEMBL7609804 0.75 HTR1A (0.51) HTR7HTR1ALMNAMAPTKDM4E
SCHEMBL6070108 0.75 DRD2 (0.51) HTR1AMAPTDRD2KDM4ESMN1; SMN2
SCHEMBL6070259 0.75 DRD2 (0.51) HTR1AMAPTDRD2KDM4ESMN1; SMN2
SCHEMBL7542132 0.74 DRD2 (0.62) HTR7HTR1ALMNAMAPTDRD2

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-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP disclosed
US-6306859-B1 PIPERIDINE ALKYL IMIDES AS NEUROTRANSMITTERS AMERICAN HOME PRODUCTS CORPORATION 2001-10-23 US disclosed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO disclosed