SCHEMBL7327366

SCHEMBL7327366

Fc1ccc(/C=C/COCC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
HTR2A P28223 10/20 1.00
HTR2C P28335 10/20 1.00
HTR2B P41595 10/20 1.00
DRD2 P14416 5/20 1.00

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
SCHEMBL7307537 0.92 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7307527 0.92 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL467373 0.90 SIGMAR1 (0.97) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL467375 0.90 SIGMAR1 (0.97) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL7475550 0.88 SIGMAR1 (0.93) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL7475556 0.88 SIGMAR1 (0.93) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7312140 0.88 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7310558 0.80 DRD2 (0.67) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7310512 0.80 SIGMAR1 (0.77) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7312333 0.80 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2

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-5317024-A Administering to mammals DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-05-31 US claimed