SCHEMBL5161795

SCHEMBL5161795

[CH2]Cc1ccccc1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.61
ADRA2C P18825 1/20 0.55
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
DRD4 P21917 2/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD9 Q9H8M2 6/20 0.45
BRPF1 P55201 3/20 0.45
BRD4 O60885 2/20 0.45
HTR6 P50406 1/20 0.45
BRD7 Q9NPI1 1/20 0.45
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL8361520 0.85 DRD2 (0.72) NCF1ADRA2CDRD2DRD3DRD4
SCHEMBL28053480 0.82 NCF1 (0.49) NCF1HTR1AEGFRMAPTMAPK1
SCHEMBL1487941 0.82 NCF1 (0.58) NCF1ADRA2CDRD2DRD3DRD4
SCHEMBL29505669 0.81 NCF1 (0.87) NCF1ADRA2CDRD2DRD3DRD4
SCHEMBL12368809 0.81 NCF1 (0.61) NCF1ADRA2CDRD2DRD3DRD4
SCHEMBL110927 0.81 NCF1 (0.87) NCF1ADRA2CDRD2DRD3DRD4
SCHEMBL14355759 0.81 NCF1 (0.61) NCF1ADRA2CDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10713089 0.80 NCF1 (0.59) NCF1ADRA2CDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10711290 0.80 NCF1 (0.59) NCF1ADRA2CDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10712248 0.80 NCF1 (0.59) NCF1ADRA2CDRD2DRD3DRD4

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-1753460-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-02-21 EP disclosed
WO-2005107808-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-17 WO disclosed
EP-0952154-A2 N-acyl and N-aroyl aralkyl amides Pfizer Products Inc. (US) 1999-10-27 EP disclosed