SCHEMBL13871897

SCHEMBL13871897

C=C1c2cc(CCCC)ccc2CN1c1ccc2ccn(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ SKP2 Q13309 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL13871912 0.92 PRKCI (0.35) OXER1MCHR1SKP2DRD2HTR2A
SCHEMBL13871896 0.89 HTR7 (0.37) L3MBTL1CYP2A6
SCHEMBL13872219 0.88 OXER1 (0.36) OXER1MCHR1
SCHEMBL13871860 0.85 PRKCI (0.36) MCHR1DRD3CYP2A6
SCHEMBL14818581 0.83 PTK2 (0.33) MCHR1DRD2HTR6L3MBTL1CYP2A6
SCHEMBL13872127 0.82 HTR7 (0.43) —
SCHEMBL13872167 0.81 KDM2B (0.32) —
SCHEMBL13872271 0.81 PRKCI (0.43) DRD2HTR2AL3MBTL1CYP2A6
SCHEMBL13872211 0.81 CYP2A6 (0.35) CYP2A6
SCHEMBL13113717 0.81 MCHR1 (0.37) MCHR1HTR2AHTR2CCYP2A6

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
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 — — WO disclosed
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