SCHEMBL27463569

SCHEMBL27463569

O=C(CN1CCN(c2ccncc2)CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
ALDH1A1 P00352 4/20 0.57
HRH3 Q9Y5N1 1/20 0.56
TRPV6 Q9H1D0 1/20 0.55
KDR P35968 1/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.53
HTR1A P08908 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL351380 0.89 POLB (0.74) POLBALDH1A1KDRMAPTKDM4E
Water SCHEMBL27462629 0.89 POLB (0.54) POLBALDH1A1HRH3TRPV6KDR
SCHEMBL7404283 0.89 POLB (0.55) POLBALDH1A1HRH3TRPV6MAPT
SCHEMBL9513582 0.86 POLB (0.52) POLBALDH1A1HRH3MAPTKDM4E
SCHEMBL8634430 0.86 POLB (0.52) POLBALDH1A1HRH3TRPV6MAPT
SCHEMBL7397858 0.85 ITGB3 (0.53) POLBALDH1A1HRH3TRPV6MAPT
SCHEMBL7404280 0.85 POLB (0.51) POLBALDH1A1HRH3TRPV6MAPT
Hydrochloric Acid SCHEMBL9023756 0.84 ITGB3 (0.52) POLBALDH1A1HRH3TRPV6MAPT
Benzoic Acid SCHEMBL27445587 0.83 HRH3 (0.52) POLBALDH1A1HRH3MAPTHTR1A
SCHEMBL7401271 0.83 POLB (0.50) POLBALDH1A1HRH3TRPV6MAPT

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
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN claimed