SCHEMBL13308026

SCHEMBL13308026

BN1CCC(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ SLC6A12 P48065 2/20 0.42
▸ SLC6A11 P48066 2/20 0.42
▸ SLC6A13 Q9NSD5 2/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ FFAR4 Q5NUL3 8/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ITGB3 P05106 4/20 0.35
▸ ITGA2B P08514 4/20 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
SCHEMBL1243284 0.77 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1763708 0.77 ANPEP (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8863354 0.77 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL805205 0.77 NCF1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3833697 0.77 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18123287 0.77 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24197646 0.77 ANPEP (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28300354 0.77 ANPEP (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24483431 0.77 ANPEP (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL74792 0.77 — —

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-1436281-B1 PIPERIDINE- AND PIPERAZINEACETAMIDES AS 17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2010-06-16 — — EP disclosed
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