SCHEMBL8745018

SCHEMBL8745018

O=C(O)Cc1ccc(CN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.65
HTT P42858 2/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
DRD4 P21917 1/20 0.57
ALDH1A1 P00352 4/20 0.56
HTR1A P08908 1/20 0.56
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
THRB P10828 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55

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
Hydrochloric Acid SCHEMBL8745012 0.99 HTR7 (0.64) HTR7HTTNPC1MAPTRAB9A
SCHEMBL8111511 0.86 HTT (0.77) HTR7HTTNPC1MAPTRAB9A
SCHEMBL9080030 0.85 HTR1A (0.61) HTR7HTTKDM4ESMN1; SMN2DRD4
SCHEMBL22418861 0.83 HTT (0.70) HTR7HTTNPC1MAPTRAB9A
SCHEMBL13219071 0.83 ALDH1A1 (0.74) HTR7HTTNPC1MAPTRAB9A
SCHEMBL8251966 0.81 MAPT (0.66) HTR7HTTNPC1MAPTRAB9A
SCHEMBL10796159 0.81 HTT (0.59) HTR7HTTNPC1MAPTRAB9A
SCHEMBL5174282 0.80 NPSR1 (0.71) HTTMAPTKDM4EDRD4ALDH1A1
SCHEMBL8691440 0.80 DRD4 (0.70) HTR7MAPTDRD4ALDH1A1
SCHEMBL5185365 0.80 CA1 (0.58) HTR7HTTNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP claimed
EP-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP disclosed