SCHEMBL10884852

SCHEMBL10884852

CC[C](c1ccc(F)cc1)c1ccc(OCCCN(CC)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ HRH3 Q9Y5N1 5/20 0.51
▸ BCHE P06276 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ FOXM1 Q08050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10886615 0.86 EBP (0.56) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10887720 0.79 ALDH1A1 (0.51) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10885086 0.79 KDM4E (0.51) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10883839 0.79 ESR1 (0.47) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10888476 0.78 EBP (0.66) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10880850 0.78 HRH3 (0.48) EBPSIGMAR1HRH3KDM4ESMN1; SMN2
SCHEMBL10890295 0.78 EBP (0.61) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL492102 0.78 HRH3 (0.61) EBPSIGMAR1HRH3BCHEACHE
SCHEMBL10794613 0.76 BCHE (0.56) BCHEACHEKDM4ESMN1; SMN2
SCHEMBL491797 0.76 L3MBTL1 (0.69) EBPSIGMAR1HRH3BCHEACHE

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-0115080-B1 (OMEGA-(DIETHYLAMINO)-ALKOXY)-ALPHA-(ETHYL)-BENZHYDROL DERIVATIVES, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-16 — — EP claimed
EP-0115080-B1 (OMEGA-(DIETHYLAMINO)-ALKOXY)-ALPHA-(ETHYL)-BENZHYDROL DERIVATIVES, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-16 — — EP disclosed
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