SCHEMBL27807085

SCHEMBL27807085

C1=CN(Cc2ccccc2)CC=C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.42
▸ MC4R P32245 1/20 0.37
▸ CALM1 P0DP23 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCR3 P51677 1/20 0.34

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
SCHEMBL11048801 0.85 SIGMAR1 (0.41) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL27450196 0.85 SIGMAR1 (0.41) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL18428511 0.82 SMN1; SMN2 (0.43) LMNAPOLB
SCHEMBL27489341 0.81 CXCR4 (0.42) SIGMAR1ACHE
SCHEMBL28174148 0.80 CYP11B1 (0.40) SIGMAR1POLBCCR3
Formamide SCHEMBL28854308 0.79 SIGMAR1 (0.36) SIGMAR1MC4RDRD4LMNAGSK3A
SCHEMBL25379874 0.77 LMNA (0.41) SIGMAR1MC4RLMNAPOLBGSK3A
SCHEMBL28745551 0.77 CALM1 (0.38) SIGMAR1MC4RCALM1IDH1
SCHEMBL8804597 0.77 SIGMAR1 (0.39) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL27793468 0.77 SIGMAR1 (0.39) SIGMAR1MC4RDRD4LMNAPOLB

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
CN-102056878-A Polyfluoro-1-alkane and method of manufacture therefor UNIMATEC CO LTD 2011-05-11 — — CN disclosed
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