SCHEMBL9522319

SCHEMBL9522319

O=COC1CCCc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
SRD5A1 P18405 3/20 0.39
SLC6A4 P31645 1/20 0.38
IDO1 P14902 2/20 0.38
HTR6 P50406 6/20 0.38
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL15912442 0.83 CAMK2A (0.44) KDM5AKDM4CKDM5BSRD5A1SLC6A4
Hydrochloric Acid SCHEMBL9523695 0.82 IDO1 (0.42) KDM5AKDM4CKDM5BIDO1HTR6
SCHEMBL17112866 0.81 KDM5A (0.43) KDM5AKDM4CKDM5BSRD5A1SLC6A4
SCHEMBL9520921 0.81 CHRNA7 (0.45) SRD5A1HTR6TAS1R3TAS1R1TAS1R2
SCHEMBL242245 0.79 IDO1 (0.62) SLC6A4IDO1KMT2A
SCHEMBL27662108 0.78 CYP17A1 (0.42) KDM5AKDM4CKDM5BSRD5A1HTR6
SCHEMBL18361618 0.77 KDM5A (0.41) KDM5AKDM4CKDM5BSRD5A1SLC6A4
SCHEMBL18355881 0.77 KDM5A (0.41) KDM5AKDM4CKDM5BSRD5A1SLC6A4
SCHEMBL9715562 0.76 DRD2 (0.40) SLC6A4HTR6
SCHEMBL5477872 0.74 HTR6 (0.48) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed