SCHEMBL23635325

SCHEMBL23635325

Nc1[nH]nc(C2CCC(c3ccc(Cl)cc3)CC2)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CHIT1 Q13231 2/20 0.38
▸ CHIA Q9BZP6 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ BRD2 P25440 2/20 0.37
▸ BRD3 Q15059 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 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
SCHEMBL20564864 0.81 ALDH1A1 (0.37) HTR3AMAPTGAACHIT1CHIA
SCHEMBL15020704 0.76 IKBKB (0.45) MAPTGAABRD2BRD3CREBBP
SCHEMBL315186 0.73 HTR3A (0.58) HTR3AMAPTSLC2A1DRD2MEN1
SCHEMBL1570625 0.68 KDM1A (0.49) HTR3AMAPTSLC2A1DRD2MEN1
SCHEMBL18533598 0.67 HTR3A (0.52) HTR3AMAPTSLC2A1DRD2MEN1
Methyl Alcohol SCHEMBL15391253 0.67 DRD2 (0.55) HTR3AMAPTSLC2A1DRD2MEN1
SCHEMBL30737651 0.67 MAPK11 (0.43) MAPTGAADRD2
Hydrochloric Acid SCHEMBL11838451 0.66 KDM1A (0.47) HTR3AMAPTSLC2A1DRD2MEN1
SCHEMBL23630313 0.66 PRKACA (0.57) MAPTGAACHIT1CHIADRD2
SCHEMBL23578560 0.66 HTR3A (0.50) HTR3AMAPTSLC2A1DRD2MEN1

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
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