SCHEMBL9737757

SCHEMBL9737757

c1ccc2c(c1)CCCC2N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.77
OPRM1 P35372 5/20 0.57
OPRK1 P41145 5/20 0.57
OPRL1 P41146 5/20 0.57
TSHR P16473 1/20 0.55
OPRD1 P41143 2/20 0.51
HTR2C P28335 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
Hydrochloric Acid SCHEMBL6421624 0.98 CHRNA7 (0.75) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL5899579 0.98 CHRNA7 (0.80) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL20137193 0.98 CHRNA7 (0.80) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL7472931 0.92 CHRNA7 (0.67) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL3402404 0.91 CHRNA7 (0.74) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL21142551 0.91 CHRNA7 (0.74) CHRNA7OPRM1OPRK1OPRL1TSHR
Iodide SCHEMBL7847003 0.89 CHRNA7 (0.83) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL3475010 0.89 CHRNA7 (0.90) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL14239889 0.89 CHRNA7 (0.90) CHRNA7OPRM1OPRK1OPRL1TSHR
SCHEMBL5264779 0.89 CHRNA7 (0.77) CHRNA7OPRM1OPRK1OPRL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482084-A1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES. UPJOHN CO (US) 1992-04-29 EP disclosed
EP-0150192-A4 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INTERNAT OVERSEAS INC (US) 1985-09-16 EP disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 WO disclosed
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 US disclosed