SCHEMBL10375853

SCHEMBL10375853

c1ccc2c3c([nH]c2c1)CCN(CCCCc1ccncc1)C3

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.70
ACHE P22303 1/20 0.70
SIGMAR1 Q99720 3/20 0.70

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
SCHEMBL30945720 0.93 SIGMAR1 (0.66) ACHESIGMAR1
SCHEMBL10668365 0.91 GRIN2B (0.70) SIGMAR1
SCHEMBL10662730 0.90 HTR1A (0.69) SIGMAR1
Hydrochloric Acid SCHEMBL10667418 0.90 GRIN2B (0.69) BCHEACHESIGMAR1
SCHEMBL10666818 0.87 GRIN2B (0.75) SIGMAR1
SCHEMBL10375595 0.86 SIGMAR1 (0.94) SIGMAR1
SCHEMBL10375901 0.86 SIGMAR1 (0.73) ACHESIGMAR1
SCHEMBL10375956 0.84 SIGMAR1 (0.63) BCHEACHESIGMAR1
SCHEMBL10668586 0.83 GRIN2B (0.66) SIGMAR1
SCHEMBL10375702 0.82 SIGMAR1 (1.00) ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223344-B1 GAMMA-CARBOLINES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-22 EP claimed
EP-0223344-A1 Gamma-carbolines AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-27 EP claimed
US-4636563-A Antipsychotic γ-carbolines AMERICAN HOME PRODUCTS CORPORATION (US) 1987-01-13 US claimed
EP-0223344-B1 GAMMA-CARBOLINES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-22 EP disclosed
EP-0223344-A1 Gamma-carbolines AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-27 EP disclosed
US-4636563-A Antipsychotic γ-carbolines AMERICAN HOME PRODUCTS CORPORATION (US) 1987-01-13 US disclosed