SCHEMBL11234600

SCHEMBL11234600

O[C@H]1CNCC[C@@H]1Oc1cccc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
RXRA P19793 5/20 0.36
RXRB P28702 4/20 0.36
RXRG P48443 4/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CSF1R P07333 2/20 0.35
KDR P35968 1/20 0.35
REN P00797 1/20 0.35
MCL1 Q07820 1/20 0.34
PRMT5 O14744 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
SCHEMBL11234604 1.00 BCL2L1 (0.37) BCL2L1BADRXRARXRBRXRG
SCHEMBL11232494 1.00 BCL2L1 (0.37) BCL2L1BADRXRARXRBRXRG
SCHEMBL11232500 1.00 BCL2L1 (0.37) BCL2L1BADRXRARXRBRXRG
SCHEMBL11232498 1.00 BCL2L1 (0.37) BCL2L1BADRXRARXRBRXRG
SCHEMBL6964699 0.81 HTR1A (0.49) HTR2CHTR2B
Hydrochloric Acid SCHEMBL6966923 0.80 HTR1A (0.48) HTR2CHTR2B
Ifoxetine SCHEMBL13918626 0.77 SLC6A2 (0.42) HTR2CHTR2BCSF1RKDR
Ifoxetine SCHEMBL3961263 0.77 SLC6A2 (0.42) HTR2CHTR2BCSF1RKDR
Ifoxetine SCHEMBL3959131 0.77 SLC6A2 (0.42) HTR2CHTR2BCSF1RKDR
Ifoxetine SCHEMBL119624 0.77 SLC6A2 (0.42) HTR2CHTR2BCSF1RKDR

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
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed