SCHEMBL9868061

SCHEMBL9868061

c1ccc(CN2CC3CCCC2CN3Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.73

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 SCHEMBL9865080 0.98 SIGMAR1 (0.71) SIGMAR1
SCHEMBL11775261 0.92 SIGMAR1 (0.63) SIGMAR1
SCHEMBL4870895 0.79 CHRM2 (0.60) SIGMAR1
SCHEMBL29937379 0.78 SIGMAR1 (0.50) SIGMAR1
Ammonia Solution, Strong SCHEMBL8187341 0.78 CHRM2 (0.58) SIGMAR1
SCHEMBL1723411 0.78 CHRM2 (0.58) SIGMAR1
SCHEMBL5728905 0.78 CHRM2 (0.58) SIGMAR1
SCHEMBL20328234 0.76 SIGMAR1 (0.51) SIGMAR1
SCHEMBL10475095 0.76 CHRM2 (0.51) SIGMAR1
SCHEMBL10211436 0.76 SIGMAR1 (0.48) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992546-A Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives WARNER-LAMBERT COMPANY (US) 1991-02-12 US disclosed
US-4968799-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-11-06 US disclosed
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US disclosed
US-4923879-A CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
EP-0305744-A2 Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed