SCHEMBL9733418

SCHEMBL9733418

O=C1CC[C@H]2CCCCC[C@@H]2N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
SRD5A1 P18405 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL9733421 1.00 MAPT (0.35) MAPTALDH1A1PKMLMNATSHR
SCHEMBL6638258 0.98 ALDH1A1 (0.36) MAPTALDH1A1PKMLMNATSHR
SCHEMBL3046579 0.98 ALDH1A1 (0.36) MAPTALDH1A1PKMLMNATSHR
SCHEMBL8465326 0.98 ALDH1A1 (0.36) MAPTALDH1A1PKMLMNATSHR
SCHEMBL5567030 0.98 ALDH1A1 (0.36) MAPTALDH1A1PKMLMNATSHR
SCHEMBL18150856 0.93 SRD5A1 (0.37) MAPTALDH1A1PKMLMNATSHR
SCHEMBL9359669 0.93 SRD5A1 (0.33) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL6675762 0.93 SRD5A1 (0.33) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL432190 0.91 MAPT (0.35) MAPTALDH1A1PKMLMNATSHR
SCHEMBL432189 0.91 MAPT (0.35) MAPTALDH1A1PKMLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0084164-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE, AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES, AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-28 EP disclosed
EP-0084164-A2 Derivatives of bicyclic amino acids, process for their preparation, agents containing them and their use, as well as bicyclic amino acids as intermediates, and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-27 EP disclosed