SCHEMBL9575598

SCHEMBL9575598

CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCCC1)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.79
METAP2 P50579 1/20 0.62
BCHE P06276 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRM1 Q13255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7323798 1.00 REN (0.79) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL14415355 1.00 REN (0.79) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL7296545 1.00 REN (0.79) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL9858453 1.00 REN (0.79) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL7284318 1.00 REN (0.79) RENMETAP2BCHECHRNB2CHRNB4
Hydrochloric Acid SCHEMBL7343870 0.99 REN (0.77) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL9858183 0.99 REN (0.77) RENMETAP2BCHECHRNB2CHRNB4
SCHEMBL9575444 0.99 REN (0.77) RENMETAP2BCHECHRNB2CHRNB4
Acetic Acid SCHEMBL7273459 0.97 REN (0.74) RENMETAP2BCHE
SCHEMBL9858465 0.89 REN (0.62) RENMETAP2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258183-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-4-HYDROXYVALERIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
US-5010189-A Processes for the preparation of 5-amino-4-hydroxy-valeric acid derivatives CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0258183-A2 Process for the preparation of 5-amino-4-hydroxyvaleric-acid derivatives CIBA-GEIGY AG (CH) 1988-03-02 EP disclosed