SCHEMBL3695740

SCHEMBL3695740

CC(N)CCNCCC(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 5/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36

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
SCHEMBL12249026 0.97 OPRM1 (0.39) OPRM1ALDH1A1GABRPGABRDGABRA1
SCHEMBL12248118 0.97 OPRM1 (0.39) OPRM1ALDH1A1GABRPGABRDGABRA1
SCHEMBL342753 0.91 OPRM1 (0.42) OPRM1ALDH1A1TSHRTDP1TP53
SCHEMBL81736 0.91 ALDH1A1 (0.36) OPRM1ALDH1A1GABRPGABRDGABRA1
SCHEMBL28057894 0.91 OPRM1 (0.36) OPRM1ALDH1A1GABRPGABRDGABRA1
SCHEMBL83119 0.91 ALDH1A1 (0.36) OPRM1ALDH1A1GABRPGABRDGABRA1
SCHEMBL8851071 0.89 OPRM1 (0.40) OPRM1ALDH1A1TSHRTP53CA12
SCHEMBL12227392 0.89 OPRM1 (0.40) OPRM1ALDH1A1TSHRTP53CA12
SCHEMBL13708372 0.89
SCHEMBL8640657 0.89 OPRM1 (0.40) OPRM1ALDH1A1TSHRTP53CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663585-B1 OLIGOUREA COMPOUNDS AND METHOD FOR PRODUCING SAME AND USE THEREOF KLOCKEMANN WERNER (DE) 2017-04-19 EP disclosed
EP-2663585-A2 OLIGOUREA COMPOUNDS AND METHOD FOR PRODUCING SAME AND USE THEREOF Klockemann, Werner (DE) 2013-11-20 EP disclosed
WO-2012095105-A2 OLIGOUREA COMPOUNDS AND METHOD FOR PRODUCING SAME AND USE THEREOF KLOCKEMANN WERNER (DE) 2012-07-19 WO disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
EP-0692511-B1 Method of fabrication of a dyeing aid CIBA SC HOLDING AG (CH) 2000-05-10 EP disclosed
EP-0692511-A1 Method of fabrication of a dyeing aid CIBA-GEIGY AG (CH) 1996-01-17 EP disclosed
EP-0431423-B1 Basic polycondensation products as well as their use as dye additives BAYER AG (DE) 1995-02-22 EP disclosed
EP-0312836-B1 WATER-SOLUBLE OR -DISPERSABLE, BLOCKED POLYISOCYANATES, A METHOD FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1993-02-24 EP disclosed
EP-0431423-A2 Basic polycondensation products as well as their use as dye additives BAYER AG (DE) 1991-06-12 EP disclosed