SCHEMBL7324322

SCHEMBL7324322

O=C(O)CCC(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.58
HTR2A P28223 1/20 0.53
CNR2 P34972 3/20 0.53
TBXAS1 P24557 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
S1PR3 Q99500 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CPA3 P15088 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
EPHX1 P07099 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3674189 0.88 CYP2D6 (0.54) CNR1HTR2ACNR2TBXAS1ALDH1A1
SCHEMBL10525921 0.85 CASR (0.45) CNR1CNR2ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7076635 0.81 TBXAS1 (0.45) CNR1CNR2TBXAS1ALDH1A1CYP1A2
SCHEMBL7323763 0.81 CACNA1B (0.49) HTR2ACNR2TBXAS1MEN1KMT2A
SCHEMBL18228832 0.81 HTR2A (0.57) CNR1HTR2ACNR2MEN1KMT2A
SCHEMBL28791110 0.79 CNR1 (0.41) CNR1CNR2ALDH1A1CYP1A2TSHR
SCHEMBL19893747 0.78 NTSR1 (0.53) CNR1CNR2MEN1KMT2AS1PR3
SCHEMBL10112775 0.78 ALOX5 (0.42) CNR1HTR2ACNR2MEN1KMT2A
SCHEMBL19586722 0.78 KMT2A (0.50) CNR1CNR2KMT2AALDH1A1CYP1A2
SCHEMBL27971007 0.78 ALOX5 (0.46) CNR1ALDH1A1CYP1A2TSHRSMN1; SMN2

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-4556676-A Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-12-03 US disclosed
US-4536518-A Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-08-20 US disclosed
EP-0030081-B1 ANTIDEPRESSANT DERIVATIVES OF CIS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0028901-B1 ANTIDEPRESSANT DERIVATIVES OF TRANS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0030081-A1 Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-06-10 EP disclosed