SCHEMBL3395936

SCHEMBL3395936

NCCC1CCCC(CC(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.38
SLC6A11 P48066 5/20 0.38
SLC6A13 Q9NSD5 5/20 0.38
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL652967 0.85 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL12345487 0.85 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL7448393 0.84 CYP2D6 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL8003132 0.84 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL24064245 0.81 SIGMAR1 (0.42) ALOX5
SCHEMBL11857523 0.81 SIGMAR1 (0.42) ALOX5
SCHEMBL11857534 0.81 SIGMAR1 (0.42) ALOX5
SCHEMBL185540 0.81 SIGMAR1 (0.42) ALOX5
SCHEMBL28103618 0.78 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL9504422 0.77 ANPEP (0.54) GABRR1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184986-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY Trinity Laboratories, Inc. (US) 2010-05-19 EP claimed
WO-2009021058-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORTORIES, INC. (US) 2009-02-12 WO claimed