SCHEMBL10375709

SCHEMBL10375709

Clc1ccc2[nH]c3c(c2c1)CN(CCCc1ccccn1)CC3

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
ACHE P22303 3/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52

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
SCHEMBL10375839 0.94
SCHEMBL10375697 0.82 SIGMAR1 (0.64) SIGMAR1ACHE
SCHEMBL10375715 0.81 SIGMAR1 (0.60) SIGMAR1ACHE
SCHEMBL10375901 0.80 SIGMAR1 (0.73) SIGMAR1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL801651 0.78 SIGMAR1 (0.67) SIGMAR1
SCHEMBL10375708 0.77
SCHEMBL30704375 0.77 ACHE (0.60) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL11183259 0.76 ACHE (0.76) ACHE
SCHEMBL3254208 0.76 SIGMAR1 (0.67) SIGMAR1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL3716545 0.74 BAZ2B (0.62) ACHEGRIN1GRIN2AGRIN2DGRIN3B

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