SCHEMBL27649837

SCHEMBL27649837

C[C@H](N)CN1c2ccccc2C2CCCC21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.59
▸ JAK3 P52333 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CREBBP Q92793 1/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AKT1 P31749 1/20 0.30
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL27629337 1.00 HRH1 (0.59) HRH1JAK3HDAC6CREBBPDRD2
SCHEMBL10199697 0.81 HTR2A (0.45) HRH1NOS3NOS1NOS2HTR2A
SCHEMBL27629340 0.81 HRH1 (0.40) HRH1NOS3NOS1NOS2HTR2A
SCHEMBL5016356 0.81 HTR2A (0.45) HRH1NOS3NOS1NOS2HTR2A
SCHEMBL27649431 0.78 HRH1 (0.38) HRH1DRD2HTR2ASMN1; SMN2
SCHEMBL14197429 0.77 HRH1 (0.52) HRH1HDAC6DRD2HTR1A
SCHEMBL4862162 0.77 HRH1 (0.49) HRH1JAK3HDAC6CREBBPDRD2
SCHEMBL11359103 0.76 HRH1 (0.58) HRH1JAK3HDAC6CREBBPDRD2
Hydrochloric Acid SCHEMBL6625464 0.74 HRH1 (0.37) HRH1CREBBPALDH1A1
SCHEMBL14197457 0.73 HRH1 (0.49) HRH1JAK3HDAC6CREBBPDRD2

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-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 — — CN disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 — — CN disclosed
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