SCHEMBL8788974

SCHEMBL8788974

CC(=O)NC1=C[CH]CC=C1OCCCCl

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL8786674 0.76
SCHEMBL459880 0.70
SCHEMBL8788033 0.70 LMNA (0.39) ALDH1A1
SCHEMBL3118105 0.64
SCHEMBL8561393 0.64 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7838200 0.63 ALDH1A1 (0.71) ALDH1A1
SCHEMBL11564029 0.60 MTNR1A (0.48) ALDH1A1
SCHEMBL8347010 0.56 ALDH1A1 (0.71) ALDH1A1
SCHEMBL10919037 0.55
SCHEMBL5318359 0.55

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
EP-0730452-A4 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST ROUSSEL PHARMA (US) 1997-03-19 EP disclosed
EP-0730452-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST MARION ROUSSEL, Inc. (US) 1996-09-11 EP disclosed