SCHEMBL8959527

SCHEMBL8959527

NCCn1ccc2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
KMO O15229 1/20 0.50
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
ACLY P53396 2/20 0.43
PRMT5 O14744 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41
HTR7 P34969 1/20 0.40
OXER1 Q8TDS5 1/20 0.40
LMNA P02545 1/20 0.39
KRAS P01116 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
Hydrochloric Acid SCHEMBL29902400 0.98 HTR2A (0.58) HTR2AHTR2CCDK4CCND1KMO
Hydrochloric Acid SCHEMBL27171474 0.98 HTR2A (0.58) HTR2AHTR2CCDK4CCND1KMO
Fumaric Acid SCHEMBL8959489 0.87 KMO (0.53) HTR2AHTR2CCDK4CCND1KMO
Fumaric Acid SCHEMBL8959483 0.87 KMO (0.53) HTR2AHTR2CCDK4CCND1KMO
SCHEMBL18856964 0.82 HTR2A (0.59) HTR2AHTR2CCDK4CCND1KMO
SCHEMBL8959910 0.82 HTR2A (0.55) HTR2AHTR2CCDK4CCND1KMO
SCHEMBL1576323 0.80 KMO (0.78) HTR2AHTR2CCDK4CCND1KMO
SCHEMBL6789563 0.80 PRKCI (0.56) HTR2AHTR2CCDK4CCND1PLG
SCHEMBL23956140 0.79 HTR7 (0.62) HTR2AHTR2CCDK4CCND1KMO
SCHEMBL18856955 0.79 HTR2A (0.56) HTR2AHTR2CCDK4CCND1KMO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP claimed
EP-4605395-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS Dong-A ST Co., Ltd. (KR) 2025-08-27 EP disclosed
WO-2024084448-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 WO disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed