SCHEMBL4356635

SCHEMBL4356635

CN1CC[N]C(c2nc3cc(Cl)ccc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.47
GLA P06280 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR3A P46098 1/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
TRPC3 Q13507 1/20 0.36
MCHR1 Q99705 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4348250 0.86 LMNA (0.39) HRH4ALDH1A1LMNAMAPTHTT
SCHEMBL4350354 0.85 MPO (0.38) HRH4HRH3ALDH1A1HTR3A
SCHEMBL4352227 0.85 HRH4 (0.35) HRH4HRH3ALDH1A1LMNAHTT
SCHEMBL4356646 0.85 HRH4 (0.45) HRH4LMNAMAPTHTTSMN1; SMN2
SCHEMBL4355101 0.83 ALDH1A1 (0.38) HRH4HRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4103942 0.81 KCNH2 (0.40) HRH4
SCHEMBL4353639 0.81 KDM4E (0.40) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL4354354 0.80 HRH4 (0.44) HRH4HRH3ALDH1A1
SCHEMBL4354372 0.78 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL4344619 0.75 PARP1 (0.42)

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
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed