SCHEMBL9632016

SCHEMBL9632016

O=C(CCc1cccc2ccccc12)N[C@@H](CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
P2RX7 Q99572 1/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MTNR1A P48039 3/20 0.46
CTNNB1 P35222 1/20 0.46
FOLH1 Q04609 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PIN1 Q13526 1/20 0.45

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
SCHEMBL9852754 0.86 PIN1 (0.57) HRH4MMEACECPA1ACE2
SCHEMBL2330434 0.85 FOLH1 (0.48) HRH4P2RX7MMEACECPA1
SCHEMBL22758120 0.80 MTNR1A (0.51) P2RX7MTNR1A
SCHEMBL8668240 0.80 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL3660841 0.80 MME (0.62) HRH4MMEACECPA1ACE2
SCHEMBL3662089 0.79 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL3662085 0.79 HRH4 (0.60) HRH4MMEACECPA1ACE2
SCHEMBL6138237 0.78 HDAC2 (0.56) MMEACEFNTAFNTBPIN1
SCHEMBL4652554 0.78 HRH4 (0.53) HRH4MMEACECPA1ACE2
SCHEMBL3661209 0.78 HRH4 (0.53) HRH4MMEACECPA1ACE2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed