SCHEMBL30070147

SCHEMBL30070147

O=C1c2cccc(N3CCNCC3)c2CN1C1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 18/20 0.51
▸ HTR2C P28335 17/20 0.51
▸ HTR2A P28223 11/20 0.51
▸ PARP1 P09874 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL30936926 0.90 HTR2B (0.44) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL31129783 0.88 HTR2B (0.43) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30351579 0.85 PARP1 (0.43) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30351877 0.85 PARP1 (0.43) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30352321 0.85 PARP1 (0.47) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30698072 0.81 HTR2B (0.62) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30659847 0.81 PARP1 (0.49) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL660471 0.81 HTR2B (0.62) HTR2BHTR2CHTR2APARP1HTR3E
SCHEMBL30376302 0.81 HTR2B (0.62) HTR2BHTR2CHTR2APARP1HTR3E
Hydrochloric Acid SCHEMBL28593152 0.80 HTR2B (0.60) HTR2BHTR2CHTR2APARP1HTR3E

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-2022237904-A1 NAPHTHALENE RING-CONTAINING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 江苏亚虹医药科技股份有限公司 2022-11-17 — — WO disclosed
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