SCHEMBL11147698

SCHEMBL11147698

c1ccc(CN2CCN(c3coc4ccccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
DRD4 P21917 5/20 0.53
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
NCF1 P14598 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.47

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
SCHEMBL28241794 0.77 ALDH1A1 (0.57) NCF1ALDH1A1KDM4EHPGD
SCHEMBL7295692 0.77 SIGMAR1 (1.00) SIGMAR1ALDH1A1HSD17B10RAB9AMAOB
SCHEMBL3588307 0.76 ALDH1A1 (0.53) DRD2DRD3NCF1ALDH1A1KDM4E
SCHEMBL11321507 0.76 ALDH1A1 (0.57) NCF1ALDH1A1KDM4EHPGD
SCHEMBL24524524 0.74 KDM4E (0.77) NCF1ALDH1A1HSD17B10RAB9AKDM4E
SCHEMBL13149380 0.74 CYP1A2 (0.77) SIGMAR1ALDH1A1KDM4ELMNAMAOB
SCHEMBL6194016 0.74 HTR1A (0.64) SIGMAR1DRD4DRD2DRD3NCF1
SCHEMBL1387431 0.73 ALDH1A1 (0.62) SIGMAR1DRD4DRD2DRD3ALDH1A1
SCHEMBL3560946 0.73 HTR6 (0.53) SIGMAR1NCF1ALDH1A1HSD17B10KDM4E
SCHEMBL1415730 0.73 SIGMAR1 (1.00) SIGMAR1DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4382935-A Analgesic drug containing a derivative of benzylpiperazine Buzas, Andre (FR) 1983-05-10 US claimed
EP-0034521-B1 ANALGESIC DRUG CONTAINING 1-(3'-BENZOFURYL)-4-BENZYLPIPERAZINE AND PROCESS FOR ITS PREPARATION Buzas, André (FR) 1983-03-23 EP claimed
EP-0034521-A1 Analgesic drug containing 1-(3'-benzofuryl)-4-benzylpiperazine and process for its preparation Buzas, André (FR) 1981-08-26 EP claimed
US-4382935-A Analgesic drug containing a derivative of benzylpiperazine Buzas, Andre (FR) 1983-05-10 US disclosed
US-4382935-A Analgesic drug containing a derivative of benzylpiperazine Buzas, Andre (FR) 1983-05-10 US disclosed
EP-0034521-B1 ANALGESIC DRUG CONTAINING 1-(3'-BENZOFURYL)-4-BENZYLPIPERAZINE AND PROCESS FOR ITS PREPARATION Buzas, André (FR) 1983-03-23 EP disclosed
EP-0034521-B1 ANALGESIC DRUG CONTAINING 1-(3'-BENZOFURYL)-4-BENZYLPIPERAZINE AND PROCESS FOR ITS PREPARATION Buzas, André (FR) 1983-03-23 EP disclosed
EP-0034521-A1 Analgesic drug containing 1-(3'-benzofuryl)-4-benzylpiperazine and process for its preparation Buzas, André (FR) 1981-08-26 EP disclosed
EP-0034521-A1 Analgesic drug containing 1-(3'-benzofuryl)-4-benzylpiperazine and process for its preparation Buzas, André (FR) 1981-08-26 EP disclosed
EP-0034521-A1 Analgesic drug containing 1-(3'-benzofuryl)-4-benzylpiperazine and process for its preparation Buzas, André (FR) 1981-08-26 EP disclosed