SCHEMBL6375332

SCHEMBL6375332

CCCCCCCCCCCCN1CN(CCN(C)C)CN(CCN(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.50
GNAI3 P08754 4/20 0.42
GNAO1 P09471 4/20 0.42
GNAI1 P63096 4/20 0.42
GUSB P08236 2/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 1/20 0.37

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
SCHEMBL5358572 1.00 DNM1 (0.50) DNM1GNAI3GNAO1GNAI1GUSB
Hydrochloric Acid SCHEMBL6909314 0.96 DNM1 (0.46) DNM1GNAI3GNAO1GNAI1GUSB
Hydrochloric Acid SCHEMBL6903759 0.96 DNM1 (0.46) DNM1GNAI3GNAO1GNAI1GUSB
SCHEMBL9551177 0.92 DNM1 (0.56) DNM1GNAI3GNAO1GNAI1GUSB
SCHEMBL9551167 0.92 DNM1 (0.56) DNM1GNAI3GNAO1GNAI1GUSB
SCHEMBL6379727 0.92 DNM1 (0.56) DNM1GNAI3GNAO1GNAI1GUSB
SCHEMBL28747094 0.89 DNM1 (0.43) DNM1GNAI3GNAO1GNAI1GUSB
Hydrochloric Acid SCHEMBL6905942 0.88 DNM1 (0.52) DNM1GNAI3GNAO1GNAI1GUSB
SCHEMBL18782455 0.88 GNAI3 (0.57) DNM1GNAI3GNAO1GNAI1
SCHEMBL18402566 0.88 GNAI3 (0.57) DNM1GNAI3GNAO1GNAI1

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-1171480-B1 METHOD FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-25 EP disclosed
US-6803431-B1 COMPLEX OF A TRANSITION METAL WITH A TRIDENTATE MACROCYCLIC LIGAND WHICH BEARS AT LEAST ONE SUBSTITUENT HAVING A DONOR FUNCTION AND AN ALUMINOXANE BASF AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed