SCHEMBL7227730

SCHEMBL7227730

c1ccc(C(c2ccccc2)N2CCN(CCCSc3ccc4nncn4n3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.46
P2RX7 Q99572 10/20 0.44
ADRA1B P35368 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7235144 0.80 PARP14 (0.69) PARP14P2RX7
SCHEMBL6631556 0.79 P2RX7 (0.44) P2RX7ADRA1BDRD2DRD3
SCHEMBL7234890 0.78 PARP14 (0.68) PARP14P2RX7DRD2DRD3TSHR
Fumaric Acid SCHEMBL7231579 0.76 PARP14 (0.62) PARP14ADRA1BDRD2DRD3
Fumaric Acid SCHEMBL7231590 0.76 PARP14 (0.62) PARP14ADRA1BDRD2DRD3
Fumaric Acid SCHEMBL7226160 0.73 PARP14 (0.56) PARP14P2RX7DRD2DRD3
Fumaric Acid SCHEMBL7226163 0.73 PARP14 (0.56) PARP14P2RX7DRD2DRD3
SCHEMBL7234477 0.70 KDM4E (0.47) PARP14MEN1KMT2A
SCHEMBL7226445 0.70 KMT2A (0.58) PARP14TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL6619934 0.69 ALDH1A1 (0.47) DRD2DRD3MEN1KMT2A

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-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed