SCHEMBL9057516

SCHEMBL9057516

O=[C][C@@H](Cc1cccc2ccccc12)N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
CTNNB1 P35222 1/20 0.38
KCNA5 P22460 2/20 0.38
SCN5A Q14524 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 1/20 0.36
SLC18A2 Q05940 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL9057980 0.96 HCRTR1 (0.39) SLC6A4CTNNB1KCNA5SCN5AHCRTR1
SCHEMBL9073483 0.79 CTNNB1 (0.46) SLC6A4CTNNB1CHRM2CHRM4CHRM5
SCHEMBL9057459 0.78 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9057546 0.77 HRH3 (0.40) SLC6A4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL9070230 0.75 CTNNB1 (0.45) SLC6A4CTNNB1CHRM2CHRM4CHRM5
SCHEMBL9058947 0.74 HRH3 (0.43) SLC6A4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL10763341 0.74 CTNNB1 (0.42) SLC6A4CTNNB1
SCHEMBL9059652 0.74 L3MBTL1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9057848 0.72 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1237529 0.71 MTNR1A (0.50) HCRTR1HCRTR2MTNR1AMTNR1B

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