SCHEMBL9057980

SCHEMBL9057980

O=[C][C@@H](Cc1cccc2ccccc12)N1CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
SLC6A4 P31645 1/20 0.38
CTNNB1 P35222 1/20 0.37
KCNA5 P22460 2/20 0.37
SCN5A Q14524 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A2 Q05940 1/20 0.35
PER2 O15055 1/20 0.35
PTGER3 P43115 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9057516 0.96 SLC6A4 (0.39) HCRTR1HCRTR2SLC6A4CTNNB1KCNA5
SCHEMBL9070230 0.79 CTNNB1 (0.45) SLC6A4CTNNB1CHRM2CHRM4CHRM5
SCHEMBL9059652 0.79 L3MBTL1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9058947 0.79 HRH3 (0.43) HCRTR1HCRTR2SLC6A4CHRM2CHRM4
SCHEMBL9057546 0.76 HRH3 (0.40) HCRTR1HCRTR2SLC6A4CHRM2CHRM4
SCHEMBL9073483 0.75 CTNNB1 (0.46) SLC6A4CTNNB1CHRM2CHRM4CHRM5
SCHEMBL9057459 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10763341 0.73 CTNNB1 (0.42) SLC6A4CTNNB1MEN1KMT2A
SCHEMBL9057438 0.73 HCRTR1 (0.43) HCRTR1HCRTR2LMNARAB9ASMN1; SMN2
SCHEMBL9058004 0.72 ALDH1A1 (0.39) SLC6A4CHRM2CHRM4CHRM5CHRM1

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-1996017862-A1 LHRH ANTAGONISTS HAVING LACTAM GROUPS AT THE N-TERMINUS ABBOTT LABORATORIES (US) 1996-06-13 WO disclosed
US-5516759-A LHRH antagonists having lactam groups at the N-terminus TAP HOLDINGS INC. (US) 1996-05-14 US disclosed