SCHEMBL27659099

SCHEMBL27659099

CC(C)(CN)c1c[nH]c2ccc(N)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 7/20 0.43
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HTR1B P28222 4/20 0.40
▸ HTR2A P28223 7/20 0.40
▸ AR P10275 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL27694047 0.87 IMPDH2 (0.42) HTR1DHPGDCYP2C19MTNR1AMTNR1B
SCHEMBL1465870 0.83 HTR1D (0.44) HTR1DHPGDCYP2C19MTNR1AMTNR1B
SCHEMBL9268928 0.83 HTR2A (0.53) MTNR1AMTNR1BHTR2ATUBB4ATUBB
SCHEMBL22166260 0.83 HTR2C (0.53) HTR1DHPGDCYP2C19MTNR1AMTNR1B
SCHEMBL9854036 0.80 MTNR1A (0.63) HTR1DCYP2C19MTNR1AMTNR1BHTR1B
SCHEMBL29611302 0.78 HTR2A (0.47) HTR1DCYP2C19HTR1BHTR2AHTR1A
SCHEMBL273916 0.78 HTR2A (0.47) HTR1DCYP2C19HTR1BHTR2AHTR1A
SCHEMBL4787969 0.77 NQO2 (0.47) —
Hydrochloric Acid SCHEMBL30098563 0.77 PMP22 (0.49) HTR1DCYP2C19HTR1BHTR2AHTR1A
Hydrochloric Acid SCHEMBL4526379 0.77 PMP22 (0.49) HTR1DCYP2C19HTR1BHTR2AHTR1A

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
CN-100441180-C Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2008-12-10 — — CN disclosed
CN-1816334-A Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2006-08-09 — — CN disclosed
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