SCHEMBL10554161

SCHEMBL10554161

CC(C)(C)N1CCN(Cc2ccccc2)CCN1C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.69
MC4R P32245 1/20 0.63
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
DRD4 P21917 1/20 0.56
ACHE P22303 1/20 0.55
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CCR3 P51677 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL855234 0.85 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL2489199 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL576868 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL242970 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL8188324 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL1041303 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL1415730 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
Hydrochloric Acid SCHEMBL4074661 0.83 SIGMAR1 (0.67) SIGMAR1MC4RLMNAPOLBDRD4
Water SCHEMBL8695926 0.81 SIGMAR1 (0.95) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL13036529 0.81 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBDRD4

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
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed