SCHEMBL9448290

SCHEMBL9448290

COc1ccc2c(c1)CCC1CN(Cc3ccccc3)C(C)CC21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
DRD2 P14416 3/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
DRD3 P35462 2/20 0.45
GRIN2B Q13224 4/20 0.44
GRIN1 Q05586 1/20 0.44
HRH2 P25021 1/20 0.43
MAPT P10636 1/20 0.43

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 SCHEMBL9447935 0.99 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9447930 0.99 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9448023 0.84 SIGMAR1 (0.58) SIGMAR1MAPT
SCHEMBL9448011 0.84 SIGMAR1 (0.58) SIGMAR1MAPT
SCHEMBL9448144 0.81 SIGMAR1 (0.74) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9448136 0.81 SIGMAR1 (0.74) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9447926 0.79 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9448032 0.79 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7351594 0.71 MAPT (0.50) SIGMAR1DRD2HTR2CGRIN2BHRH2
SCHEMBL7351589 0.71 MAPT (0.50) SIGMAR1DRD2HTR2CGRIN2BHRH2

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-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US claimed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP claimed
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed