SCHEMBL31378615

SCHEMBL31378615

Cc1ncc(F)cc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR1A P08908 7/20 0.43
HTR6 P50406 6/20 0.43
HTR7 P34969 6/20 0.43
HTR2B P41595 5/20 0.43
HTR3A P46098 5/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
ADRB1 P08588 3/20 0.42
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
HTR5A P47898 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL29243724 0.80 ALDH1A1 (0.45) HTR6HTR3AHTR2AADRB2HTR3E
SCHEMBL31536997 0.80 NCF1 (0.44) CHRNB2CHRNA4HTR1AHTR6HTR7
SCHEMBL30047074 0.78 HTR3A (0.55) CHRNB2CHRNA4HTR1AHTR6HTR7
SCHEMBL24784244 0.78 HTR3A (0.55) CHRNB2CHRNA4HTR1AHTR6HTR7
Hydrochloric Acid SCHEMBL29974181 0.76 HTR3A (0.54) CHRNB2CHRNA4HTR1AHTR6HTR7
Hydrochloric Acid SCHEMBL21626121 0.76 HTR3A (0.54) CHRNB2CHRNA4HTR1AHTR6HTR7
Hydrochloric Acid SCHEMBL23403785 0.76 HTR3A (0.54) CHRNB2CHRNA4HTR1AHTR6HTR7
SCHEMBL24989544 0.76 ALDH1A1 (0.47) HTR1AHTR6HTR7HTR2BHTR3A
SCHEMBL27307157 0.75 PDE10A (0.39) HTR1A
SCHEMBL27307301 0.75 DPP4 (0.38) HTR1A

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-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed