SCHEMBL30759010

SCHEMBL30759010

C=CCCC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
KMT2A Q03164 1/20 0.41
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 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
SCHEMBL31511542 0.89 HRH3 (0.44) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL606458 0.83
Hydrochloric Acid SCHEMBL31599906 0.82 HRH3 (0.39) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL9111422 0.81 HRH3 (0.40) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL5808150 0.80 KMT2A (0.44) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL1098260 0.77
SCHEMBL7704486 0.76 HRH3 (0.53) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL4708069 0.76 HRH3 (0.47) HRH3HRH4KMT2ACPN1CPB2
SCHEMBL11801552 0.75
SCHEMBL5806827 0.74 SLC6A1 (0.41) HRH3HRH4KMT2ACPN1CPB2

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-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 EP disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 WO disclosed