SCHEMBL8979736

SCHEMBL8979736

NC(=O)c1cncc(-c2ccc3[nH]cc(C[C@H]4CCCN4CC4CC4)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
DGAT1 O75907 1/20 0.41
HTR1B P28222 13/20 0.41
HTR1D P28221 11/20 0.41
HTR1A P08908 2/20 0.39

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
SCHEMBL8979735 0.85 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8979691 0.77 HTR1B (0.57) HTR1BHTR1DHTR1AHTR6
SCHEMBL8979699 0.76 HTR1B (0.58) HTR1BHTR1DHTR1AHTR6
SCHEMBL8979690 0.76 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8473966 0.76 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8979679 0.75 HTR1B (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8885806 0.75 SLC6A4 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8979688 0.72 HTR1B (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8888939 0.71 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8979718 0.70 ICMT (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2

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-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed