SCHEMBL4741131

SCHEMBL4741131

O=C(c1c[c]ccc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ CPB1 P15086 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ SLC18A3 Q16572 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL28416394 0.85 HTR1F (0.46) HTR2ACPB1KMT2AMEN1SLC18A3
SCHEMBL28700825 0.84 AKR1C3 (0.37) HTR2ACPB1SMN1; SMN2
SCHEMBL11496511 0.75 — —
SCHEMBL232050 0.75 NPC1 (0.47) NPC1RAB9AHTR2ACPB1KMT2A
SCHEMBL103388 0.75 — —
SCHEMBL324342 0.74 HTR2A (0.56) HTR2ACPB1KMT2AMGLLMEN1
SCHEMBL14480518 0.74 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1SRD5A2
SCHEMBL18428493 0.74 HTR2A (0.56) HTR2ACPB1KMT2AMGLLMEN1
SCHEMBL2236358 0.73 NPC1 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Bicarbonate SCHEMBL11468689 0.73 HTR2A (0.54) HTR2ACPB1KMT2AMGLLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — WO claimed
CN-109071438-B Process for preparing fexofenadine and intermediates used therein 赛诺菲-安万特德国有限公司 2023-02-21 — — CN disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — WO disclosed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 — — WO disclosed
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