SCHEMBL9303465

SCHEMBL9303465

CN(Cc1ccccc1)C(C)(C)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
AOC3 Q16853 1/20 0.44
RIPK1 Q13546 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN1A P35498 1/20 0.41
HIF1A Q16665 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MGLL Q99685 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
SCHEMBL9303864 0.81 TSHR (0.47) TSHRALDH1A1AOC3RIPK1NPC1
Hydrochloric Acid SCHEMBL9303560 0.80 ALDH1A1 (0.45) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL17258048 0.79 KMT2A (0.51) TSHRALDH1A1RIPK1NPC1RAB9A
SCHEMBL19954207 0.79 TSHR (0.52) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL11249019 0.76 TSHR (0.54) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL1640061 0.76 TSHR (0.58) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL31481619 0.74 TSHR (0.56) TSHRALDH1A1AOC3RIPK1NPC1
SCHEMBL9426454 0.74 CHRM3 (0.47) TSHRRIPK1NPC1RAB9ACA12
SCHEMBL9426376 0.73 DRD2 (0.56) TSHRALDH1A1RAB9ACYP3A4CYP2D6
SCHEMBL18098741 0.73 RIPK1 (0.50) TSHRALDH1A1RIPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
US-5302595-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-12 US disclosed
US-5300516-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-05 US disclosed
US-5219871-A MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-06-15 US disclosed
EP-0505379-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-09-30 EP disclosed
WO-1991009014-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed