SCHEMBL5987345

SCHEMBL5987345

Cc1coc2c(Br)cc(F)c(C)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.37
▸ KCNA3 P22001 1/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ KDM1B Q8NB78 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ F2RL1 P55085 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL16004961 0.85 ALDH2 (0.33) ALDH2KCNA3KDM1AKDM1BKDM4E
SCHEMBL19584837 0.72 F2RL1 (0.43) ALDH2KCNA3F2RL1
SCHEMBL5986722 0.68 KCNA3 (0.36) KCNA3KDM4EALDH1A1HSD17B10
SCHEMBL6305402 0.67 HTR2A (0.32) KCNA3
SCHEMBL6304529 0.65 ALDH2 (0.32) ALDH2
SCHEMBL16005005 0.64 PTPN1 (0.47) POLB
SCHEMBL16004954 0.64 — —
SCHEMBL13725473 0.64 KCNA3 (0.39) KCNA3KDM4EALDH1A1HSD17B10
SCHEMBL12689887 0.64 HDAC1 (0.37) KDM1AKDM1BALDH1A1HPGD
SCHEMBL850836 0.64 KDM1A (0.50) KDM1AKDM1BALDH1A1

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-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 — — US disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 — — US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 — — US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 — — EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 — — EP disclosed
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