SCHEMBL7598362

SCHEMBL7598362

O=C(OCc1ccccc1)N1CCCC[C@@H]1CCO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
PREP P48147 3/20 0.50
FKBP1A P62942 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.49
ACE2 Q9BYF1 2/20 0.48
CYP2C19 P33261 1/20 0.48
CTRB1 P17538 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7598366 1.00 TMEM97 (0.51) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL1841001 1.00 TMEM97 (0.51) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL16414618 0.96 PREP (0.54) PREPSMN1; SMN2NPC1RAB9AACE2
SCHEMBL1842266 0.93 TMEM97 (0.54) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL3605585 0.90 SPHK2 (0.54) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL1190565 0.90 SPHK2 (0.54) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL80752 0.90 SPHK2 (0.54) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL19621551 0.89 TMEM97 (0.56) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL14646665 0.89 TMEM97 (0.56) TMEM97SIGMAR1PREPFKBP1ASMN1; SMN2
SCHEMBL10772392 0.89 PREP (0.52) TMEM97SIGMAR1PREPSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 US disclosed
EP-0858458-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES Pfizer Limited (GB) 1998-08-19 EP disclosed
WO-1997016444-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES PFIZER LIMITED (GB) 1997-05-09 WO disclosed