SCHEMBL24627394

SCHEMBL24627394

COc1cccc(CCNc2nc(N3CCCCC3)nc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.62
▸ LMNA P02545 4/20 0.59
▸ POLB P06746 4/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ MAPT P10636 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ TSHR P16473 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT5A Q9NQR1 5/20 0.56
▸ MEN1 O00255 2/20 0.52
▸ GLA P06280 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ APP P05067 1/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ PDE5A O76074 1/20 0.51

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
SCHEMBL3645747 0.90 APP (0.65) HRH4LMNAPOLBKDM4EMAPT
Hydrochloric Acid SCHEMBL3640596 0.89 APP (0.64) HRH4LMNAPOLBKDM4EMAPT
SCHEMBL3642691 0.89 HRH4 (0.66) HRH4LMNAPOLBKDM4EMAPT
Hydrochloric Acid SCHEMBL3641028 0.88 HRH4 (0.65) HRH4LMNAPOLBKDM4EMAPT
SCHEMBL3640907 0.86 HRH4 (0.78) HRH4LMNAKDM4EMAPTGAA
SCHEMBL29777972 0.86 HRH4 (0.78) HRH4LMNAKDM4EMAPTGAA
SCHEMBL21225645 0.85 HRH4 (0.80) HRH4LMNAKDM4EMAPTGAA
SCHEMBL3639965 0.84 HRH4 (0.60) HRH4LMNAPOLBKDM4EMAPT
SCHEMBL14503196 0.82 NPSR1 (0.70) LMNAPOLBMAPTGAANPSR1
Anisole SCHEMBL27808580 0.82 KDM4E (0.61) HRH4LMNAPOLBKDM4EMAPT

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
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