SCHEMBL10563196

SCHEMBL10563196

O=C(OCc1ccccc1)N1[CH]CC(O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTR2C P28335 1/20 0.48
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
P2RX4 Q99571 2/20 0.44
ALDH1A1 P00352 3/20 0.44
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
MAPK1 P28482 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
SCHEMBL30609918 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL6073024 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL603957 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL16893309 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5787375 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL1870162 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL6819973 0.75 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2621378 0.75 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL2621382 0.75 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL70762 0.75 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed