SCHEMBL9682093

SCHEMBL9682093

Cc1cccc(C)c1OCC1CNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
SCN4A P35499 10/20 0.42
SLC6A4 P31645 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42
KCNK2 O95069 1/20 0.42
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL27487413 0.84 EED (0.47) SLC6A4SLC6A2
SCHEMBL27504233 0.84 EED (0.47) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7955369 0.82 EED (0.46) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7946334 0.82 EED (0.46) SLC6A4SLC6A2
SCHEMBL14499009 0.79 SCN4A (0.43) SSTR4SCN4ASLC6A4LMNASCN1A
SCHEMBL9683102 0.77 ALDH1A1 (0.44) SCN4ASLC6A4LMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL9683107 0.76 ALDH1A1 (0.43) SCN4ASLC6A4LMNASCN1ASCN5A
SCHEMBL17277334 0.74 SSTR4 (0.48) SSTR4SLC6A4CYP3A4TSHRKCNH2
SCHEMBL3671560 0.73 ALDH1A1 (0.65) SCN4ASLC6A4LMNASCN1ASCN5A
SCHEMBL21618371 0.72 TDP1 (0.49) SLC6A4KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US claimed
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed