SCHEMBL8439867

SCHEMBL8439867

CSc1nc2ccccc2n1-c1nccc(OCCN2CCOCC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ OXTR P30559 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ PIK3CB P42338 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL8441415 0.95 LMNA (0.43) LMNASMN1; SMN2PIK3CBPIK3CDPIK3R1
SCHEMBL8443199 0.90 TDP1 (0.43) SMN1; SMN2PDE2APOLB
SCHEMBL8441858 0.86 CYP2D6 (0.44) POLBMET
SCHEMBL8672721 0.82 PTGS2 (0.40) LMNASMN1; SMN2POLB
SCHEMBL8442148 0.81 KMT2A (0.44) MKNK1POLBPIK3CD
SCHEMBL8551375 0.80 KDM4E (0.39) LMNASMN1; SMN2POLB
SCHEMBL8439870 0.78 LMNA (0.47) LMNAMKNK1SMN1; SMN2PDE2AOXTR
SCHEMBL8668966 0.78 SMN1; SMN2 (0.38) LMNASMN1; SMN2
SCHEMBL8552372 0.77 PTGS2 (0.36) LMNASMN1; SMN2POLB
SCHEMBL8438242 0.76 CHRNB4 (0.44) —

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
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
Send feedback