SCHEMBL9816744

SCHEMBL9816744

CCCCCCCCCCCCN(CCO)CC(O)CNCCCCCCN

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
DNM1 Q05193 8/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.33
RELA Q04206 3/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL9816870 0.90 ANPEP (0.39) ANPEPERAP2GNAI3GNAO1GNAI1
SCHEMBL8433801 0.87 ANPEP (0.41) ANPEPERAP2ALDH1A1MEN1KMT2A
SCHEMBL8437372 0.87 ANPEP (0.41) ANPEPERAP2ALDH1A1MEN1KMT2A
SCHEMBL8436441 0.84 ANPEP (0.42) ANPEPERAP2DNM1ALDH1A1TSHR
SCHEMBL8437502 0.84 ANPEP (0.42) ANPEPERAP2DNM1ALDH1A1TSHR
SCHEMBL20903748 0.84 ANPEP (0.39) ANPEPERAP2DNM1ALDH1A1MEN1
SCHEMBL8434780 0.83 ANPEP (0.41) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11443989 0.82 ANPEP (0.39) ANPEPERAP2ALDH1A1MEN1KMT2A
SCHEMBL8435076 0.81 ANPEP (0.42) ANPEPERAP2ALDH1A1MEN1KMT2A
SCHEMBL9816839 0.81 ADRB2 (0.37) GNAI3GNAO1GNAI1DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273342-B1 1,3-BIS-SUBSTITUTED-2-PROPANOL DERIVATIVES CONTAINING AMINO GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
US-4885392-A Derivatives of 1,3-bissubstituted 2-propanol containing amino groups, methods for their preparation and their use HOECHST AG (DE) 1989-12-05 US disclosed
EP-0273342-A1 1,3-Bis-substituted-2-propanol derivatives containing amino groups, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-06 EP disclosed