SCHEMBL9057546

SCHEMBL9057546

O=[C][C@@H](Cc1ccc2ccccc2c1)N1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A4 P31645 1/20 0.39
DPP4 P27487 1/20 0.38
KMT2A Q03164 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
MEN1 O00255 1/20 0.37
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CHKA P35790 1/20 0.36

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
SCHEMBL9058947 0.97 HRH3 (0.43) HRH3HTR2AHTR2CHTR2BSLC6A4
SCHEMBL9057459 0.84 CHRM2 (0.45) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL9059652 0.82 L3MBTL1 (0.48) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL9057848 0.82 HCRTR1 (0.42) DPP4HCRTR1HCRTR2ITGB2ICAM1
SCHEMBL9057438 0.81 HCRTR1 (0.43) DPP4HCRTR1HCRTR2ITGB2ICAM1
SCHEMBL9058043 0.80 MEN1 (0.53) SLC6A4DPP4KMT2AMEN1ITGB2
SCHEMBL9057843 0.79 MC4R (0.40) SLC6A4DPP4KMT2ACHRM2CHRM4
SCHEMBL9057516 0.77 SLC6A4 (0.39) SLC6A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL9057980 0.76 HCRTR1 (0.39) SLC6A4KMT2ACHRM2CHRM4CHRM5
SCHEMBL9058004 0.76 ALDH1A1 (0.39) HRH3SLC6A4DPP4KMT2ACHRM2

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 4 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 claimed
US-5516759-A LHRH antagonists having lactam groups at the N-terminus TAP HOLDINGS INC. (US) 1996-05-14 US claimed
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