SCHEMBL6674451

SCHEMBL6674451

CCCN(c1ccccc1)C(CCCNC(=N)N)C(=O)C(Cl)C(=O)C(Cl)C(=O)C(CCCNC(=N)N)N(CCC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALOX12 P18054 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
JAK2 O60674 1/20 0.34
PAX8 Q06710 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
NAAA Q02083 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8899669 0.79 ANPEP (0.37) LMNA
SCHEMBL757757 0.73 C3AR1 (0.39) HTTMAPTNPC1RAB9AMTNR1A
SCHEMBL757758 0.73 C3AR1 (0.39) HTTMAPTNPC1RAB9AMTNR1A
SCHEMBL16318658 0.71 MTNR1A (0.37) MTNR1AMTNR1BNAAACYP2C9CYP2C19
SCHEMBL3897616 0.69 NOS3 (0.34) GAACYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL27492704 0.69 ALDH1A1 (0.37) CYP2C9CYP2C19KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9390635 0.69 ANPEP (0.40) LMNA
SCHEMBL8374436 0.69 ANPEP (0.40) LMNA
SCHEMBL9394697 0.69 ANPEP (0.40) LMNA
SCHEMBL27576022 0.68 CTSK (0.39) NAAAALDH1A1HPGDLMNA

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
WO-2004026252-A2 GLIOMA TREATMENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2004-04-01 WO disclosed
US-5859204-A NON-ANTIGENIC, NON-IMMUNOGENIC SUPERIOR COAGULANT HUMAN/PORCINE HYBRID BY SITE DIRECTED MUTAGENESIS; HEMOPHILIA EMORY UNIVERSITY (US) 1999-01-12 US disclosed