SCHEMBL8908898

SCHEMBL8908898

C[C@](N)(C(=O)O)C1CCC(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
EPHX1 P07099 1/20 0.32
SMYD3 Q9H7B4 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL5323379 0.91
SCHEMBL26777875 0.91
SCHEMBL4513896 0.91
Hydrochloric Acid SCHEMBL361546 0.89 GRM2 (0.48) GRM2EPHX1MEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL361545 0.89 GRM2 (0.48) GRM2EPHX1MEN1CYP1A2CYP2C19
SCHEMBL5370906 0.84 EPHX1 (0.46) GRM2EPHX1MEN1CYP1A2CYP2C19
SCHEMBL5370903 0.84 EPHX1 (0.46) GRM2EPHX1MEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8153025 0.83 EPHX1 (0.44) GRM2EPHX1MEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8153030 0.83 EPHX1 (0.44) GRM2EPHX1MEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5413910 0.83 EPHX1 (0.44) GRM2EPHX1MEN1CYP1A2CYP2C19

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
WO-1988002756-A2 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1988-04-21 WO claimed
US-5656721-A HAVING SUGAR MOIETY; PROLONGED DURATION OF ACTION SANDOZ LTD. (CH) 1997-08-12 US disclosed