SCHEMBL7620113

SCHEMBL7620113

N[C@H]1c2ccccc2CN2CCCC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ TSHR P16473 1/20 0.40

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
SCHEMBL7623817 1.00 SLC18A3 (0.45) SLC18A3CHRNA7OPRM1OPRK1TSHR
SCHEMBL7620129 1.00 SLC18A3 (0.45) SLC18A3CHRNA7OPRM1OPRK1TSHR
SCHEMBL7620120 1.00 SLC18A3 (0.45) SLC18A3CHRNA7OPRM1OPRK1TSHR
SCHEMBL7623805 1.00 SLC18A3 (0.45) SLC18A3CHRNA7OPRM1OPRK1TSHR
SCHEMBL9496731 0.85 CHRNA7 (0.50) CHRNA7OPRM1OPRK1
SCHEMBL9493953 0.85 CHRNA7 (0.50) CHRNA7OPRM1OPRK1
SCHEMBL27203809 0.81 SLC9A3 (0.49) CHRNA7OPRM1OPRK1TSHR
SCHEMBL7625381 0.79 SLC18A3 (0.53) SLC18A3CHRNA7OPRM1OPRK1
SCHEMBL7620201 0.76 PDPK1 (0.44) SLC18A3CHRNA7OPRM1OPRK1TSHR
SCHEMBL7620196 0.76 PDPK1 (0.44) SLC18A3CHRNA7OPRM1OPRK1TSHR

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-6436954-B1 BENZO(B)QUINOLIZIDINE AND BENZO(F)INDOLIZIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA OR OTHER CONDITIONS CHARACTERIZED BY MEMORY LOSS; PYRROLO(1,2-B)ISOQUINOLINES, BENZO(B)QUINOLIZINES AMERICAN BIOGENETIC SCIENCES, INC. 2002-08-20 — — US disclosed
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