SCHEMBL20525463

SCHEMBL20525463

CC(N)CNC(C)c1ccccc1C(C)NCC(C)N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
POLB P06746 1/20 0.42
MAOA P21397 4/20 0.40
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
APAF1 O14727 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
AOC3 Q16853 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL18095786 0.87 POLB (0.60) ANPEPPOLBMAOASLC6A2TAAR1
SCHEMBL1132867 0.85 CA1 (0.53)
SCHEMBL1132538 0.85 CA1 (0.53)
SCHEMBL17509718 0.81 ANPEP (0.62) ANPEPSLC6A2SLC6A4SLC6A3APAF1
SCHEMBL20525326 0.77 ANPEP (0.49) ANPEPSLC6A2SLC6A4SLC6A3APAF1
SCHEMBL20525547 0.75 ANPEP (0.47) ANPEPMAOASLC6A2TAAR1SLC6A4
SCHEMBL18575556 0.74 SLC6A2 (0.42) POLBSLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL17509721 0.72 MTOR (0.56) ANPEPPOLBMAOASLC6A2TAAR1
SCHEMBL9188260 0.69 SIGMAR1 (0.63) MAOASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL1133278 0.69 CA1 (0.48) POLBADRB2ADRB1

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-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP disclosed