SCHEMBL11033196

SCHEMBL11033196

NCCCOc1ccccc1Cc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
HRH1 P35367 10/20 0.66
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 1/20 0.62
DRD1 P21728 7/20 0.61
DRD5 P21918 6/20 0.61
DRD2 P14416 5/20 0.61
DRD4 P21917 5/20 0.61
DRD3 P35462 5/20 0.59
HTR2A P28223 1/20 0.52
HTR1A P08908 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL5145157 0.95 HPGD (0.78) HPGDSMN1; SMN2HRH1TP53CYP1A2
Hydrochloric Acid SCHEMBL11631075 0.93 HPGD (0.81) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL11031853 0.91 HPGD (0.96) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL5004402 0.85 HRH1 (0.70) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL6688657 0.84 HTR1A (0.64) HPGDSMN1; SMN2DRD2HTR1A
SCHEMBL5249495 0.82 HRH1 (0.66) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL5146718 0.82 HRH1 (0.71) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL5004014 0.82 HRH1 (0.66) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL9236565 0.81 TP53 (0.67) HPGDSMN1; SMN2HRH1TP53CYP1A2
SCHEMBL2085565 0.81 HRH1 (0.69) HPGDSMN1; SMN2HRH1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562211-A ANTIDEPRESSANTS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 US disclosed
US-4091114-A ANTIDEPRESSANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-05-23 US disclosed
US-4060641-A ANTIDEPRESSANT MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-11-29 US disclosed
US-4024282-A Pharmaceutically active 2-(3-alkylaminopropoxy)diphenylmethanes MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-05-17 US disclosed