SCHEMBL11798019

SCHEMBL11798019

c1ccc2c(c1)CCCN2CCOc1ccc2c(c1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HRH3 Q9Y5N1 7/20 0.49
DRD2 P14416 3/20 0.48
DRD1 P21728 3/20 0.48
DRD4 P21917 3/20 0.48
DRD5 P21918 3/20 0.48
DRD3 P35462 3/20 0.48
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11787518 0.87 MEN1 (0.52) MEN1ALDH1A1KMT2AHRH3DRD3
SCHEMBL11677917 0.85 ALDH1A1 (0.59) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11787640 0.83 ALDH1A1 (0.58) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11787186 0.83 LTA4H (0.59) MEN1ALDH1A1KMT2ATSHRHRH3
SCHEMBL12642701 0.83 ALDH1A1 (0.54) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11791076 0.83 ALDH1A1 (0.57) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11675725 0.83 LTA4H (0.57) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11795792 0.83 CHRM2 (0.55) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11788007 0.83 TSHR (0.60) MEN1ALDH1A1KMT2ATSHRMAPT
SCHEMBL11787383 0.82 KMT2A (0.60) MEN1ALDH1A1KMT2AMAPTNPC1

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-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed