SCHEMBL7584588

SCHEMBL7584588

C(=C1/CN2CCC1CC2)\N1c2ccccc2Sc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA4 P43681 5/20 0.49
▸ CHRNB2 P17787 4/20 0.49
▸ CHRNB4 P30926 2/20 0.49
▸ CHRNA3 P32297 2/20 0.49
▸ CHRNA7 P36544 2/20 0.49
▸ CHRM2 P08172 3/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ CHRM3 P20309 3/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ DRD1 P21728 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42

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
SCHEMBL29657047 1.00 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7583945 1.00 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7583938 1.00 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14591104 0.66 CHRNB2 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10916062 0.63 CHRNB2 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3206683 0.63 CHRNB2 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3217847 0.63 CHRNB2 (0.58) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9077377 0.62 MAOA (0.52) CHRM3ADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL272974 0.62 MAOA (0.52) CHRM3ADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL627990 0.62 MAOA (0.52) MAOABCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074552-B1 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS CO LTD (JP) 2002-10-09 — — EP claimed
US-6433168-B1 CHEMICAL INTERMEDIATE FOR MEQUITAZINE; ANTIHISTAMINES SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 — — US claimed
EP-1074552-A2 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-02-07 — — EP claimed
CN-110204540-B Industrial production method of mequitazine 宁波斯迈克制药有限公司 2022-06-24 — — CN disclosed
EP-1074552-B1 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS CO LTD (JP) 2002-10-09 — — EP disclosed
US-6433168-B1 CHEMICAL INTERMEDIATE FOR MEQUITAZINE; ANTIHISTAMINES SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 — — US disclosed
EP-1074552-A2 Process for the preparation of a highly pure phenothiazine compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-02-07 — — EP disclosed
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