SCHEMBL4430277

SCHEMBL4430277

CCN(CC)C(=O)C1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
F10 P00742 2/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ACKR3 P25106 1/20 0.50
AKR1C3 P42330 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CCR1 P32246 1/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL918622 0.79 NOTUM (0.54) NOTUMF10ALDH1A1AKR1C3MAPT
SCHEMBL2073478 0.77 NOTUM (0.81) NOTUMALDH1A1AKR1C3MAPTKMT2A
SCHEMBL11051087 0.77 HRH3 (0.57) ALDH1A1AKR1C3MAPTKMT2AMEN1
SCHEMBL10013762 0.77 HSD17B1 (0.51) ALDH1A1KDM4EACKR3MAPT
SCHEMBL18395565 0.75 NOTUM (0.64) NOTUMALDH1A1AKR1C3MAPTMAPK1
SCHEMBL25262380 0.75 MAPT (0.66) NOTUMALDH1A1KDM4EAKR1C3MAPT
SCHEMBL4558490 0.73 HTT (0.55) NOTUMALDH1A1KMT2AMEN1PKM
SCHEMBL9081654 0.72 CYP46A1 (0.59) NOTUMALDH1A1KDM4EKMT2AMEN1
SCHEMBL4476298 0.72 RORC (0.54) NOTUMALDH1A1KDM4EMAPTMAPK1
SCHEMBL2158833 0.72 NOTUM (0.54) NOTUMALDH1A1AKR1C3MAPTMAPK1

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-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO disclosed