SCHEMBL31334733

SCHEMBL31334733

O=c1ccccn1C1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.46
HTR2B P41595 4/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CAMK2D Q13557 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PARP1 P09874 1/20 0.40
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL19513981 0.90 HTR6 (0.44) HTR6HTR2BPARP1HTR2CHTR2A
SCHEMBL30558157 0.81 KDM5A (0.39)
SCHEMBL15797759 0.81 ALDH1A1 (0.40)
SCHEMBL3566412 0.80 HTR2C (0.42) HTR6HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL30612389 0.79 KDM5A (0.38)
SCHEMBL27935614 0.79 ALDH1A1 (0.42)
SCHEMBL7190295 0.79 ALDH1A1 (0.42)
Hydrochloric Acid SCHEMBL3557925 0.78 HTR2C (0.41) HTR6HTR2BHTR3EHTR3BHTR3A
SCHEMBL31052400 0.78 HTR6 (0.44) HTR6HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL30612384 0.78 ALDH1A1 (0.41)

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed