SCHEMBL8329198

SCHEMBL8329198

O=C(OCc1ccccc1)N1CCCCC1I

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ FKBP1A P62942 2/20 0.53
▸ SIGMAR1 Q99720 3/20 0.52
▸ TMEM97 Q5BJF2 2/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ CTRB1 P17538 1/20 0.50

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
SCHEMBL28219844 0.90 SMN1; SMN2 (0.57) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5326054 0.84 SMN1; SMN2 (0.55) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL25756732 0.83 FKBP1A (0.56) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL5376822 0.83 SMN1; SMN2 (0.53) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL4985728 0.83 SMN1; SMN2 (0.53) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL630241 0.83 PREP (0.62) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL630208 0.83 PREP (0.62) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL82714 0.83 PREP (0.62) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL14646671 0.83 FKBP1A (0.56) PREPSMN1; SMN2NPC1RAB9AFKBP1A
SCHEMBL7648948 0.82 PREP (0.61) PREPSMN1; SMN2NPC1RAB9AFKBP1A

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
EP-0901489-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 — — EP disclosed
WO-1997044339-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 — — WO disclosed
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