SCHEMBL1697453

SCHEMBL1697453

O=C(Cl)[C@@H]1CCCN1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.46
FKBP1A P62942 5/20 0.44
PREP P48147 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AGTR2 P50052 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41

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
Phosphoric Acid SCHEMBL28317949 0.96 SPHK1 (0.43) SPHK1FKBP1APREPHRH3AGTR2
SCHEMBL1287227 0.88 SMN1; SMN2 (0.48) SPHK1FKBP1APREPALDH1A1AGTR2
SCHEMBL6379511 0.88 SMN1; SMN2 (0.48) SPHK1FKBP1APREPALDH1A1AGTR2
SCHEMBL1769465 0.88 SMN1; SMN2 (0.48) SPHK1FKBP1APREPALDH1A1AGTR2
SCHEMBL7390923 0.86 SPHK1 (0.54) SPHK1FKBP1APREPNPC1RAB9A
SCHEMBL10961572 0.84 HTR2A (0.44) SPHK1FKBP1APREPSPHK2
SCHEMBL2916597 0.84 FKBP1A (0.49) FKBP1AALDH1A1AGTR2NPC1RAB9A
SCHEMBL28450023 0.83 FKBP1A (0.40) SPHK1FKBP1APREP
SCHEMBL12496386 0.82 FKBP1A (0.41) SPHK1FKBP1APREPHRH3SPHK2
SCHEMBL28504235 0.82 SPHK1 (0.50) SPHK1FKBP1APREPNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed