SCHEMBL10587768

SCHEMBL10587768

[CH2]C(O)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.64
LMNA P02545 5/20 0.62
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 1/20 0.62
HTR1A P08908 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.55
HTT P42858 3/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL30874651 0.85 IGF1R (0.64) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL12781849 0.84 LMNA (0.68) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7291269 0.82 LMNA (0.67) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9493281 0.82 LMNA (0.67) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10147158 0.81 IGF1R (0.59) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL14355262 0.79 MEN1 (0.72) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7297746 0.79 POLB (0.59) ALDH1A1MAPTPOLBHTR1AKDM4E
SCHEMBL14067428 0.79 SORD (0.60) IGF1RALDH1A1MAPTPOLBHTR1A
SCHEMBL19003598 0.79 IGF1R (0.56) IGF1RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4491439 0.79 IGF1R (0.56) IGF1RLMNAALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319030-A1 Aminopropanol derivatives of 1,4:3,6-dianhydro-hexitol nitrates, processes for their preparation and their use as medicaments Heinrich Mack Nachf. (DE) 1989-06-07 EP disclosed