SCHEMBL7302304

SCHEMBL7302304

O=C(O)c1cn(C2CCNCC2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HTR6 P50406 7/20 0.59
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCH P24723 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCZ Q05513 1/20 0.50
PRKCD Q05655 1/20 0.50
CAMK2B Q13554 1/20 0.50
CAMK2G Q13555 1/20 0.50
CAMK2D Q13557 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
OPRM1 P35372 1/20 0.46

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
SCHEMBL12486470 0.90 KDM4E (0.69) KDM4EHTR6MEN1KMT2AALDH1A1
SCHEMBL7301825 0.81 KDM4E (0.55) KDM4EHTR6MEN1KMT2AALDH1A1
SCHEMBL30906933 0.79 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3399045 0.79 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL30906932 0.79 KDM4E (0.86) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7301108 0.79 KDM4E (0.56) KDM4EHTR6MEN1KMT2AALDH1A1
SCHEMBL7490360 0.78 HTR3A (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2318444 0.78 HTR3A (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3724622 0.78 HTR3A (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3724624 0.78 HTR3A (0.56) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252570-A Amidino and guanidino derivatives B.I. ITALIA (IT) 1993-10-12 US disclosed
US-5047410-A Indolyl derivatives and their use as 5-HT3, receptor antagonists ISTITUTO DE ANGELI S.P.A. (IT) 1991-09-10 US disclosed
EP-0351385-A2 New amidino and guanidino derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-01-17 EP disclosed