SCHEMBL8634749

SCHEMBL8634749

CCCCC(=O)Oc1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
HRH1 P35367 2/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
POLB P06746 1/20 0.45
LSS P48449 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A4 P31645 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
SCHEMBL8905952 0.80 DRD4 (0.50) HRH3POLBKMT2AALDH1A1KDM4E
SCHEMBL8634144 0.80 HRH3 (0.57) HRH3HRH1
SCHEMBL7403781 0.80 DRD4 (0.52) HRH3POLBLSSKMT2AALDH1A1
SCHEMBL8701067 0.79 HRH3 (0.58) HRH3HRH1DRD4SLC6A4
SCHEMBL7397902 0.79 DRD4 (0.54) HRH3POLBLSSKMT2AALDH1A1
SCHEMBL8637843 0.77 HRH3 (0.60) HRH3HRH1SMN1; SMN2ALDH1A1DRD4
SCHEMBL16944454 0.77 SIGMAR1 (0.60) POLBLSSKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7812327 0.76 LMNA (0.51) KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8630602 0.76 HRH3 (0.59) HRH3HRH1SMN1; SMN2ALDH1A1DRD4
SCHEMBL8251460 0.75 POLB (0.56) POLBLSSKDM4EDRD4

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed