SCHEMBL9751643

SCHEMBL9751643

CN[C@H](C=O)Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.50
HRH4 Q9H3N8 11/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NFKB1 P19838 2/20 0.50
GLA P06280 1/20 0.50
CYP1A2 P05177 1/20 0.50
THPO P40225 1/20 0.50
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
MAPT P10636 1/20 0.46
CYP3A4 P08684 2/20 0.45
SLC7A5 Q01650 1/20 0.45
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
PKM P14618 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL17119227 1.00 HRH3 (0.50) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL17119231 0.84 HRH3 (0.47) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL11117873 0.84 HRH3 (0.47) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL29312929 0.83 HRH4 (0.46) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL14213359 0.83 HRH4 (0.50) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL13550919 0.81 HRH4 (0.45) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL12735917 0.81 HRH4 (0.47) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL13863500 0.79 CYP3A4 (0.46) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL16557054 0.78 HRH4 (0.41) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL24855254 0.78 CYP3A4 (0.48) HRH3HRH4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
US-20130236968-A1 MULTIFUNCTIONAL COPOLYMERS FOR NUCLEIC ACID DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2013-09-12 US disclosed
EP-0126344-A2 Tripeptide esters of therapeutic agents ABBOTT LABORATORIES (US) 1984-11-28 EP disclosed