SCHEMBL11368285

SCHEMBL11368285

O=C1NCC2(CCN(C(=O)OCc3ccccc3)CC2)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
DRD1 P21728 1/20 0.57
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
OPRK1 P41145 4/20 0.48
OPRD1 P41143 1/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL30542404 0.86 KMT2A (0.48) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL25373086 0.86 KMT2A (0.48) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL30542372 0.86 KMT2A (0.48) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL541133 0.82 MEN1 (0.63) CYP2D6KMT2AMAPTMEN1NPSR1
SCHEMBL31398594 0.81 HSD11B1 (0.48) KMT2AMAPTMEN1NPSR1SMN1; SMN2
SCHEMBL17572223 0.81 MEN1 (0.66) KMT2AMAPTMEN1NPSR1SMN1; SMN2
SCHEMBL4134071 0.81 MEN1 (0.55) KMT2AMAPTMEN1NPSR1SMN1; SMN2
SCHEMBL11363329 0.79 MEN1 (0.53) ADRA2ADRD1KMT2AMAPTMEN1
SCHEMBL2434340 0.78 MEN1 (0.58) CYP2D6TSHRKMT2AMEN1NPSR1
SCHEMBL29319091 0.78 MEN1 (0.55) KMT2AMAPTMEN1NPSR1SMN1; SMN2

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-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US disclosed