SCHEMBL11345653

SCHEMBL11345653

NC1C2CC3CC(C2)C(C(=O)O)C1C3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 2/20 0.32
GRM2 Q14416 7/20 0.32
GRM5 P41594 4/20 0.32
GRM3 Q14832 4/20 0.32
GRM4 Q14833 3/20 0.32
GRM6 O15303 2/20 0.32
GRM1 Q13255 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM8 O00222 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
SCHEMBL14118138 0.85 POLB (0.39) POLBTDP1HSD11B1GRM2GRM5
SCHEMBL7741675 0.83 POLB (0.38) POLBTDP1HSD11B1GRM2GRM5
SCHEMBL14243718 0.81 HSD11B1 (0.40) GABRR1POLBTDP1HSD11B1GRM2
SCHEMBL7258876 0.78 CYP2C9 (0.42) POLBTDP1HSD11B1GRM2GRM3
SCHEMBL14026146 0.73 CYP2C9 (0.30)
SCHEMBL19859959 0.73 HSD11B1 (0.48) POLBTDP1HSD11B1GRM2GRM5
SCHEMBL160953 0.73 HSD11B1 (0.48) POLBTDP1HSD11B1GRM2GRM5
SCHEMBL16698251 0.73 HSD11B1 (0.48) POLBTDP1HSD11B1GRM2GRM5
Hydrochloric Acid SCHEMBL3051989 0.71 HSD11B1 (0.46) POLBTDP1HSD11B1GRM2GRM5
SCHEMBL31349739 0.71 HSD11B1 (0.46) POLBTDP1HSD11B1GRM2GRM5

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-4273704-A N-Adamantane-substituted tetrapeptide amides G. D. SEARLE & CO. (US) 1981-06-16 US disclosed