SCHEMBL29777972

SCHEMBL29777972

c1ccc(CCNc2nc(N3CCCCC3)nc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.78
KDM4E B2RXH2 6/20 0.64
GLA P06280 3/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MEN1 O00255 1/20 0.64
NPY1R P25929 1/20 0.64
KMT2A Q03164 1/20 0.64
PDE5A O76074 5/20 0.61
GAA P10253 3/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 3/20 0.60
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALOX15 P16050 1/20 0.60
HTR3A P46098 1/20 0.59
APP P05067 4/20 0.58
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL3640907 1.00 HRH4 (0.78) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL21225645 0.99 HRH4 (0.80) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3636087 0.93 HRH4 (0.67) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3643239 0.92 HRH4 (0.67) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3640240 0.92 HRH4 (0.70) HRH4KDM4EGLATSHRHSD17B10
Hydrochloric Acid SCHEMBL3638599 0.91 HRH4 (0.65) HRH4KDM4EGLATSHRHSD17B10
Hydrochloric Acid SCHEMBL3638064 0.91 HRH4 (0.69) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3640409 0.89 HRH4 (0.64) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3640583 0.89 HRH4 (0.63) HRH4KDM4EGLATSHRHSD17B10
SCHEMBL3642691 0.89 HRH4 (0.66) HRH4KDM4EGLATSHRHSD17B10

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-2022148879-A1 QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 STICHTING VU (NL) 2022-07-14 WO disclosed