SCHEMBL8913882

SCHEMBL8913882

CCCCCN(CCCCC)C(=O)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR1A P08908 1/20 0.43

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
SCHEMBL14229118 0.94 L3MBTL1 (0.52) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL14230000 0.91 TACR1 (0.49) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8376444 0.89 TACR1 (0.49) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8014785 0.89 TACR1 (0.65) TACR1HTR1A
SCHEMBL14200310 0.84 TACR1 (0.44) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL10990821 0.82 HTR1A (0.62) TACR1HTR1A
SCHEMBL11509359 0.82 TACR1 (0.58) TACR1TDP1HTR1A
SCHEMBL5369797 0.82 TACR1 (0.55) TACR1HTR1A
SCHEMBL11228139 0.81 TACR1 (0.40) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL1858027 0.78 HTR1A (0.67) L3MBTL1MEN1KMT2ATDP1HTR1A

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
US-5610165-A N-acylpiperidine tachykinin antagonists MERCK & CO., INC. (US) 1997-03-11 US disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed