SCHEMBL9303864

SCHEMBL9303864

CN(Cc1ccccc1)C(C)(C)CCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
AOC3 Q16853 1/20 0.44
RIPK1 Q13546 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38

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
Hydrochloric Acid SCHEMBL9303560 0.98 ALDH1A1 (0.45) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL9303465 0.81 TSHR (0.47) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL19954207 0.79 TSHR (0.52) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL1640061 0.76 TSHR (0.58) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL9426376 0.73 DRD2 (0.56) TSHRALDH1A1CYP2C19RAB9ACYP3A4
SCHEMBL11249019 0.72 TSHR (0.54) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL27258851 0.72 TSHR (0.54) TSHRALDH1A1AOC3RIPK1CARM1
SCHEMBL20844585 0.72 AOC3 (0.56) TSHRALDH1A1AOC3RIPK1CARM1
Chloromethane SCHEMBL28157121 0.71 TSHR (0.90) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL31481619 0.70 TSHR (0.56) TSHRALDH1A1AOC3RIPK1CARM1

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 7 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
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