SCHEMBL14720482

SCHEMBL14720482

C(=C1CCN(C2CCC2)CC1)c1ccc(CNc2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 3/20 0.40
CSF1R P07333 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPV6 Q9H1D0 2/20 0.38
JAK2 O60674 1/20 0.38
LTA4H P09960 1/20 0.38
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
ACHE P22303 1/20 0.36
HSD17B10 Q99714 2/20 0.35
NAMPT P43490 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL14720579 0.79 NAMPT (0.53) RAB9ANAMPT
SCHEMBL14720490 0.79 HRH3 (0.49) RAB9AHRH3CSF1RTRPV6CYP2D6
SCHEMBL7879854 0.74 CSF1R (0.44) RAB9AHRH3CSF1RHDAC1HDAC8
SCHEMBL422625 0.73 CSF1R (0.45) RAB9AHRH3CSF1RHDAC1HDAC8
SCHEMBL14721067 0.72 SRD5A2 (0.42) HRH3CYP2D6
SCHEMBL10054992 0.71 RAB9A (0.83) RAB9AHDAC1HDAC8HDAC6LTA4H
SCHEMBL14720592 0.71 HRH3 (0.35) HRH3
SCHEMBL14720972 0.71 HRH3 (0.42) HRH3HDAC1HDAC6CYP2D6GRIN2B
SCHEMBL14720398 0.70 HRH3 (0.45) HRH3CYP2D6
SCHEMBL14720518 0.70 HRH3 (0.46) HRH3CYP2D6GRIN2B

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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed