SCHEMBL11246034

SCHEMBL11246034

COc1ccc(C(CC(C)N)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ACP3 P15309 1/20 0.49
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PBRM1 Q86U86 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CA4 P22748 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL6327248 0.94 SLC6A4 (0.55) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6319526 0.94 SLC6A4 (0.55) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6320389 0.94 SLC6A4 (0.55) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7678158 0.84 TAAR1 (0.50) SLC6A4LMNAMAOAOPRK1
Fumaric Acid SCHEMBL11241445 0.82 THRB (0.49) SLC6A4ALDH1A1KMT2ACYP1A2CYP2D6
Fumaric Acid SCHEMBL11241484 0.82 THRB (0.49) SLC6A4ALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL2065584 0.79 HTR2A (0.64) SLC6A4ALDH1A1ACP3KMT2AMITF
SCHEMBL3253569 0.79 DPP4 (0.61) ALDH1A1ACP3PBRM1CYP1A2CYP2D6
SCHEMBL2153572 0.79 ACP3 (0.56) ALDH1A1ACP3PBRM1CYP1A2CYP2D6
SCHEMBL19282953 0.79 ACP3 (0.56) ALDH1A1ACP3PBRM1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000322-B1 COMPOUNDS HAVING AN ANTI-DEPRESSIVE OR TRANQUILIZING ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION Astra Läkemedel Aktiebolag (SE) 1982-05-05 EP claimed
EP-0000322-A1 Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation Astra Läkemedel Aktiebolag (SE) 1979-01-10 EP claimed
EP-0000322-A1 Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation Astra Läkemedel Aktiebolag (SE) 1979-01-10 EP disclosed