SCHEMBL2425863

SCHEMBL2425863

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)Oc1ccco1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
KCNH2 Q12809 3/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2423988 0.85 MAPT (0.36) HRH3KCNH2RAB9AMAPTNPSR1
SCHEMBL219754 0.84 PKM (0.51) RAB9AMAPTNPSR1PKMKMT2A
SCHEMBL2421851 0.84 HRH3 (0.35) HRH3KCNH2RAB9AMAPTPOLB
SCHEMBL2429279 0.82 HRH3 (0.33) HRH3KCNH2RAB9AMAPTNPSR1
Cyclohexane SCHEMBL2428515 0.80 HRH3 (0.40) HRH3KCNH2RAB9ANPC1
Trifluoroacetic Acid SCHEMBL223636 0.79 PKM (0.45) RAB9AMAPTNPSR1PKMKMT2A
SCHEMBL223649 0.78 KCNH2 (0.46) HRH3KCNH2RAB9AMAPTNPSR1
SCHEMBL223654 0.77 KMT2A (0.46) HRH3KCNH2RAB9AKMT2AALDH1A1
SCHEMBL2428638 0.77 HRH3 (0.38) HRH3KCNH2RAB9AMAPTPOLB
SCHEMBL223823 0.77 HRH3 (0.38) HRH3KCNH2RAB9AKMT2AMEN1

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-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed