SCHEMBL3378100

SCHEMBL3378100

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)C(=O)Oc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
FFAR1 O14842 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
HPGD P15428 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3379864 0.90 HRH3 (0.39) HRH3KMT2AMEN1MGLLALDH1A1
SCHEMBL3378211 0.88 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3377338 0.88 HRH3 (0.40) HRH3KMT2AMEN1MGLLALDH1A1
SCHEMBL3381202 0.86 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3376099 0.85 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3376970 0.85 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3378522 0.85 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3377452 0.85 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3375675 0.84 HRH3 (0.49) HRH3KMT2AMEN1ALDH1A1POLB
SCHEMBL3380335 0.84 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1KDM4E

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed