SCHEMBL13625896

SCHEMBL13625896

O=C(NCCCI)Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.41
MCHR1 Q99705 1/20 0.41
EPHX1 P07099 4/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
HTR3A P46098 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL11995852 0.89 EPHX1 (0.48) CCR3MCHR1EPHX1RAB9AMEN1
SCHEMBL1411686 0.89 EPHX1 (0.48) CCR3MCHR1EPHX1RAB9AMEN1
SCHEMBL8989797 0.89 CCR3 (0.43) CCR3MCHR1EPHX1KDM4ERAB9A
SCHEMBL2392413 0.88 EPHX1 (0.53) CCR3MCHR1EPHX1RAB9AHTR3A
SCHEMBL13619983 0.88 CCR3 (0.43) CCR3MCHR1EPHX1KDM4ERAB9A
SCHEMBL13620001 0.88 KMT2A (0.40) CCR3MCHR1EPHX1KDM4EMEN1
SCHEMBL2391511 0.88 EPHX1 (0.55) MCHR1EPHX1RAB9AKMT2AALDH1A1
SCHEMBL8988043 0.87 MAPT (0.43) CCR3MCHR1EPHX1KDM4EMEN1
SCHEMBL1411818 0.87 MAPT (0.41) CCR3MCHR1KDM4EMEN1POLB
SCHEMBL1411780 0.84 KDM1A (0.41) MCHR1EPHX1KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO disclosed