SCHEMBL7804971

SCHEMBL7804971

C1=C(c2ccc3c(c2)OCCO3)CCNC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.57
HTR2C P28335 8/20 0.54
SIGMAR1 Q99720 2/20 0.54
CD274 Q9NZQ7 1/20 0.45
ALOX5 P09917 1/20 0.45
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL6043424 0.90 QDPR (0.57) QDPRHTR2CSIGMAR1
SCHEMBL6584726 0.79 QDPR (0.46) QDPRHTR2CSIGMAR1CD274ALOX5
SCHEMBL5090686 0.75 QDPR (0.48) QDPRHTR2CSIGMAR1PRMT5WDR77
SCHEMBL6586461 0.74 CHEK1 (0.44) QDPRHTR2CSIGMAR1CD274PRMT5
SCHEMBL15677665 0.73 ALOX5 (0.72) CD274ALOX5NOTUM
SCHEMBL7744628 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL31367896 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL3383939 0.72 HTR2C (0.62) QDPRHTR2CSIGMAR1
SCHEMBL14956908 0.72 QDPR (0.60) QDPRHTR2CSIGMAR1
SCHEMBL3385014 0.72 SIGMAR1 (0.68) QDPRHTR2CSIGMAR1

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-0745598-B1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed