SCHEMBL9754320

SCHEMBL9754320

O=[C]N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ LSS P48449 1/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ GPR183 P32249 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL2325333 0.83 LMNA (0.65) ALDH1A1MEN1KMT2APOLB
SCHEMBL1134937 0.82 SIGMAR1 (0.72) SIGMAR1ALDH1A1KMT2APOLBDRD4
SCHEMBL11529484 0.80 SIGMAR1 (0.58) SIGMAR1KDM4EALDH1A1LSSMEN1
SCHEMBL5540357 0.79 KDM4E (0.65) SIGMAR1KDM4EALDH1A1FAAH
SCHEMBL5542250 0.78 FAAH (0.51) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL23851111 0.77 ALDH1A1 (0.87) SIGMAR1KDM4EALDH1A1LSSMEN1
SCHEMBL7937990 0.77 ALDH1A1 (0.95) SIGMAR1KDM4EALDH1A1LSSPOLB
SCHEMBL4054721 0.77 SIGMAR1 (0.62) SIGMAR1ALDH1A1POLBDRD4
SCHEMBL10502663 0.76 SIGMAR1 (0.68) SIGMAR1KDM4EALDH1A1LSSMEN1
SCHEMBL12717312 0.76 ALDH1A1 (0.71) SIGMAR1KDM4EALDH1A1LSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013868-A1 PHENYLTHIOALKYLCARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-19 — — WO disclosed
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