SCHEMBL8439870

SCHEMBL8439870

CSn1c(-c2nccc(OCCN3CCOCC3)c2C)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ OXTR P30559 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 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
SCHEMBL8441419 0.95 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL8443201 0.90 TDP1 (0.44) SMN1; SMN2PDE2A
SCHEMBL8441860 0.85 DRD2 (0.46) —
SCHEMBL8522391 0.84 POLB (0.45) LMNASMN1; SMN2POLBALDH1A1
SCHEMBL8441358 0.83 SYK (0.45) LMNAPDE2ASIGMAR1MKNK1ALDH1A1
SCHEMBL8672723 0.81 MEN1 (0.38) LMNASMN1; SMN2PDE2APOLBALDH1A1
SCHEMBL8443200 0.81 KMT2A (0.42) LMNASMN1; SMN2POLBALDH1A1
SCHEMBL8669339 0.81 MEN1 (0.39) LMNASMN1; SMN2PDE2APOLBALDH1A1
SCHEMBL8442151 0.80 MEN1 (0.44) POLBMKNK1
SCHEMBL8550349 0.80 KDM4E (0.42) LMNASMN1; SMN2POLBALDH1A1

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
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