SCHEMBL8695162

SCHEMBL8695162

C1CCCC(N2CCNCCNCCNCCNCC2)CC1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.61
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
SLC18A3 Q16572 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
RAD52 P43351 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 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
Piperazine SCHEMBL27903046 1.00 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL28809524 1.00 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL943337 0.97 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL43171 0.97 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL451992 0.97 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL1267270 0.97 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL6499302 0.95 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Water SCHEMBL14860181 0.95 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL572044 0.95 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL271868 0.95 HTR6 (0.67) HTR6KMT2AHPGDSMN1; SMN2HRH3

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
US-5721361-A CONTACTING A DIAMINE OR TRIAMINE AND A DICARBOXYLIC ACID OR ESTER IN THE PRESENCE OF A BASE AND SOLVENT; COUPLING AGENT; REDUCTION; COMPLEXING WITH MANGANESE COMPOUNDS; ION EXCHANGING THE MONSANTO COMPANY (US) 1998-02-24 US disclosed