SCHEMBL9602367

SCHEMBL9602367

O=c1cc2c(nn1-c1ccc(OCC(O)CN3CCCC3)cc1)-c1cc(F)ccc1CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CACNA1G O43497 1/20 0.45
ADORA2A P29274 1/20 0.45
ABCB1 P08183 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9602826 0.99 ATM (0.48) ATMCYP2D6CYP2C19CACNA1GADORA2A
SCHEMBL9602470 0.93 KDM4E (0.51) CACNA1GABCB1MEN1KMT2AKDM4E
SCHEMBL9602054 0.92 SMN1; SMN2 (0.48) CACNA1GADORA2AABCB1MEN1KMT2A
SCHEMBL9602957 0.85 PTGS1 (0.42) CYP2D6CYP2C19MEN1KMT2AKDM4E
SCHEMBL9602165 0.83 HRH3 (0.41) KMT2ADRD2
SCHEMBL9601550 0.83 HRH3 (0.40) KMT2ADRD2
SCHEMBL9603116 0.83 CYP2D6 (0.41) CYP2D6MEN1KMT2ATSHR
SCHEMBL9867239 0.82 HRH3 (0.39) DRD2
SCHEMBL9602428 0.81 HRH3 (0.41) KMT2ADRD2
SCHEMBL9602093 0.80 HRH3 (0.39) MEN1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed