SCHEMBL9828967

SCHEMBL9828967

O=C(O)CNN1CCNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.40
MMP2 P08253 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.36
PIM1 P11309 1/20 0.35
RBP4 P02753 1/20 0.35
HSD17B3 P37058 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
HSD11B1 P28845 1/20 0.34
AVPR2 P30518 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1862935 0.80 AVPR1A (0.46) AVPR1AMMP2GPBAR1PIM1HSD17B3
SCHEMBL28650278 0.74 MAPT (0.53) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL28092685 0.74 KMT2A (0.46) AVPR1AMMP2HSD17B3KDM4EALDH1A1
SCHEMBL28297314 0.72 AVPR1A (0.38) AVPR1AMMP2GPBAR1PIM1HSD17B3
SCHEMBL29941296 0.71 AVPR1A (0.56) AVPR1AGPBAR1HSD17B3ALDH1A1HSD11B1
SCHEMBL3663893 0.71 AVPR1A (0.56) AVPR1AGPBAR1HSD17B3ALDH1A1HSD11B1
SCHEMBL3661398 0.70 MAPK1 (0.50) AVPR1APIM1MAPK1KMT2AMEN1
SCHEMBL25937281 0.68 AVPR1A (0.52) AVPR1AMMP2GPBAR1HSD17B3ALDH1A1
SCHEMBL30379071 0.68 HTT (0.57) AVPR1AGPBAR1HSD17B3ALDH1A1HSD11B1
SCHEMBL26088243 0.68 HTT (0.57) AVPR1AGPBAR1HSD17B3ALDH1A1HSD11B1

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
EP-0197294-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-04-03 EP disclosed
US-4734407-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed