SCHEMBL7411787

SCHEMBL7411787

COc1ccc([C@H]2C[C@H]3c4ccccc4[C@@H]2C[C@@H]3CN(C)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
TSHR P16473 1/20 0.45
HTR2C P28335 2/20 0.45
ACHE P22303 1/20 0.43
HTR2A P28223 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL7413066 1.00 SLC6A4 (0.47) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7420516 1.00 SLC6A4 (0.47) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7411786 1.00 SLC6A4 (0.47) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7460948 0.76 ACHE (0.41) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7471572 0.76 ACHE (0.41) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7460954 0.76 ACHE (0.41) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7467958 0.76 ACHE (0.41) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7462222 0.76 ACHE (0.41) SLC6A4TSHRHTR2CACHEHTR2A
SCHEMBL7413730 0.75 HTR2C (0.55) SLC6A4HTR2CHTR2ATUBB4ATUBB
SCHEMBL7419732 0.75 HTR2C (0.55) SLC6A4HTR2CHTR2ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276026-A Tetrahydroethanonaphthaleneamine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-01-04 US disclosed
US-5202486-A Tetrahydroethanonaphthaleneamine derivatives E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed