SCHEMBL8740407

SCHEMBL8740407

C[C@@H]1CCCN1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ EPHX2 P34913 2/20 0.55
▸ NAMPT P43490 2/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTR1E P28566 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CYP2C19 P33261 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
Hydrochloric Acid SCHEMBL10715386 0.99 ALDH1A1 (0.59) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL31234028 0.83 SMN1; SMN2 (0.67) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL13074405 0.80 ALDH1A1 (0.69) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL25668727 0.79 ALDH1A1 (0.62) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL25668731 0.78 TSHR (0.56) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL6852416 0.76 KDM4E (0.62) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL9188898 0.75 FAAH (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14413907 0.75 EPHX2 (0.73) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL830749 0.75 RAB9A (0.64) ALDH1A1HPGDTSHRSMN1; SMN2MEN1
SCHEMBL7112664 0.74 ALDH1A1 (0.57) ALDH1A1HPGDTSHRSMN1; SMN2MAPT

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
EP-0642587-A4 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA. UNIV MICHIGAN (US) 1997-03-19 — — EP claimed
EP-0642587-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA THE UNIVERSITY OF MICHIGAN (US) 1995-03-15 — — EP claimed
WO-1993024651-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA UNIVERSITY OF MICHIGAN (US) 1993-12-09 — — WO claimed
US-5116735-A Colorimetric assay, hydrolysis of chromogen THE UNIVERSITY OF MICHIGAN (US) 1992-05-26 — — US disclosed
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