SCHEMBL10375595

SCHEMBL10375595

Fc1ccc2[nH]c3c(c2c1)CN(CCCCc1ccncc1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.94
APAF1 O14727 1/20 0.59

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
SCHEMBL10375702 0.97 SIGMAR1 (1.00) SIGMAR1APAF1
Carvotroline SCHEMBL350602 0.93 SIGMAR1 (0.88) SIGMAR1
Carvotroline SCHEMBL29710918 0.93 SIGMAR1 (0.88) SIGMAR1
Carvotroline SCHEMBL123737 0.92 SIGMAR1 (0.86) SIGMAR1
SCHEMBL10375901 0.88 SIGMAR1 (0.73) SIGMAR1
SCHEMBL10375853 0.86 BCHE (0.70) SIGMAR1
Gevotroline SCHEMBL29710901 0.85 SIGMAR1 (0.78) SIGMAR1
Gevotroline SCHEMBL293396 0.85 SIGMAR1 (0.78) SIGMAR1
Gevotroline SCHEMBL30124880 0.85 SIGMAR1 (0.78) SIGMAR1
Gevotroline SCHEMBL120422 0.84 SIGMAR1 (0.77) SIGMAR1APAF1

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