SCHEMBL8716979

SCHEMBL8716979

CCCC(=O)N(C)C1CC1c1cc(OC)ccc1C#Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
ADORA3 P0DMS8 1/20 0.36
PTGES O14684 3/20 0.35
SLC6A9 P48067 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO2 P16083 3/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL8330324 0.81 MTNR1B (0.39) MTNR1AMTNR1BRAB9ANQO2
SCHEMBL8335532 0.80 TDP1 (0.41) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL8334169 0.80 MTNR1B (0.38) MTNR1AMTNR1BRAB9ANQO2POLB
SCHEMBL8335539 0.79 TDP1 (0.38) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8097742 0.77 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL8097744 0.77 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL8333896 0.76 MAPT (0.44) MTNR1AMTNR1BNPC1RAB9ANQO2
SCHEMBL8329351 0.75 HTR2A (0.47) MTNR1AMTNR1B
SCHEMBL8332882 0.75 HTR2A (0.47) MTNR1AMTNR1B
SCHEMBL8332746 0.74 KDM1A (0.38) FFAR1ADORA3NPC1RAB9ASMN1; SMN2

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-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed