SCHEMBL4772746

SCHEMBL4772746

OC1CCN(Cc2ccc(-c3ccc(Br)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
CCR5 P51681 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
CHRM2 P08172 3/20 0.48
CHRM3 P20309 3/20 0.48
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1927705 0.95 ALDH1A1 (0.58) HRH3ALDH1A1KDM4ERAB9AMEN1
SCHEMBL1241903 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL24008985 0.85 RAB9A (0.64) HRH3ALDH1A1RAB9AMEN1CYP2D6
SCHEMBL1239295 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL1239292 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL27569958 0.83 HRH3 (0.57) HRH3ALDH1A1KDM4ERAB9AMEN1
SCHEMBL4591942 0.79 KDM4E (0.59) HRH3ALDH1A1KDM4ECCR5SIGMAR1
SCHEMBL12642582 0.79 RAB9A (0.60) HRH3ALDH1A1KDM4ERAB9AMEN1
SCHEMBL4141085 0.79 ALDH1A1 (0.60) HRH3ALDH1A1KDM4ERAB9AMEN1
SCHEMBL24495209 0.78 SPHK1 (0.63) HRH3SIGMAR1ACHEKCNH2

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-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed