SCHEMBL11257165

SCHEMBL11257165

CC1(C)C2CCC1(C)C(Cc1ccccc1)(OCCCN1CCOCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ EPHX2 P34913 3/20 0.40
▸ USP2 O75604 2/20 0.39
▸ SLC6A1 P30531 1/20 0.39
▸ SLC6A12 P48065 1/20 0.39
▸ SLC6A11 P48066 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN2A Q99250 1/20 0.38

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
SCHEMBL7780678 0.79 SLC6A1 (0.56) SIGMAR1POLBSLC6A1SLC6A12SLC6A11
SCHEMBL11252330 0.76 SLC6A1 (0.49) SLC6A1SLC6A12SLC6A11CHRM2CHRM1
SCHEMBL11245908 0.74 SLC6A1 (0.45) USP2SLC6A1SLC6A12SLC6A11KDM4E
Fumaric Acid SCHEMBL11262713 0.71 ALDH1A1 (0.41) SIGMAR1SLC6A1SLC6A12SLC6A11BCHE
SCHEMBL7782410 0.69 SLC6A1 (0.46) SLC6A1SLC6A12SLC6A11CHRM1HTR2A
SCHEMBL14028115 0.68 LTA4H (0.46) SIGMAR1POLBKDM4EACHEALDH1A1
SCHEMBL11247019 0.67 CXCR3 (0.41) SIGMAR1POLBKDM4EACHEALDH1A1
SCHEMBL11262967 0.66 SLC6A1 (0.53) SLC6A1SLC6A12SLC6A11CYP1A2HRH3
SCHEMBL13503692 0.65 OPRM1 (0.45) SIGMAR1POLBKDM4EALDH1A1CYP1A2
SCHEMBL11251634 0.64 SLC6A1 (0.43) POLBSLC6A1SLC6A12SLC6A11LMNA

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-4342762-A USEFUL AS TRANQUILIZERS, ANALGESICS, ANTIEPILEPTIC AGENTS, AND AS A TREATMENT FOR PARKINSON'S DISEASE EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-08-03 — — US disclosed
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