SCHEMBL8484147

SCHEMBL8484147

CCN1CCC(C(=O)O)CC1NC(=O)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 4/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
PMP22 Q01453 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32

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
SCHEMBL8484138 0.70 HRH3 (0.40) POLBHSD17B10LMNAHRH3GABRP
SCHEMBL8484135 0.70 LMNA (0.39) POLBHSD17B10LMNAHRH3GABRP
Hydrochloric Acid SCHEMBL8487242 0.69 HRH3 (0.39) POLBHSD17B10LMNAHRH3GABRP
SCHEMBL4155085 0.69 TSHR (0.61) LMNAHRH3GABRPGABRDGABRA1
SCHEMBL27500028 0.68 POLB (0.42) POLBHSD17B10HRH3KMT2AMEN1
SCHEMBL9058354 0.68 POLB (0.50) POLBHSD17B10HRH3KMT2AMEN1
SCHEMBL8776756 0.68 POLB (0.79) POLBHSD17B10LMNAHRH3TSHR
Hydrochloric Acid SCHEMBL8487239 0.67 SMN1; SMN2 (0.40) POLBHSD17B10CHRM4ALDH1A1CHRM1
Hydrochloric Acid SCHEMBL9058528 0.67 POLB (0.49) POLBHSD17B10HRH3KMT2AMEN1
Hydrochloric Acid SCHEMBL9058643 0.66 POLB (0.51) POLBHSD17B10LMNAHRH3TSHR

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed